ChemSpider 2D Image | N-ALPHA-(2-NAPHTHYLSULFONYL)-N(3-AMIDINO-L-PHENYLALANINYL)-4-ACETYL-PIPERAZINE | C26H29N5O4S

N-α-(2-NAPHTHYLSULFONYL)-N(3-AMIDINO-L-PHENYLALANINYL)-4-ACETYL-PIPERAZINE

  • Molecular FormulaC26H29N5O4S
  • Average mass507.605 Da
  • Monoisotopic mass507.194031 Da
  • ChemSpider ID154999

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3-{(2S)-3-(4-Acetyl-1-piperazinyl)-2-[(2-naphthylsulfonyl)amino]-3-oxopropyl}benzenecarboximidamide [ACD/IUPAC Name]
3-{(2S)-3-(4-Acetyl-1-piperazinyl)-2-[(2-naphthylsulfonyl)amino]-3-oxopropyl}benzolcarboximidamid [German] [ACD/IUPAC Name]
3-{(2S)-3-(4-Acétyl-1-pipérazinyl)-2-[(2-naphtylsulfonyl)amino]-3-oxopropyl}benzènecarboximidamide [French] [ACD/IUPAC Name]
3-{(2S)-3-(4-acetylpiperazin-1-yl)-2-[(naphthalen-2-ylsulfonyl)amino]-3-oxopropyl}benzenecarboximidamide
Benzenecarboximidamide, 3-[(2S)-3-(4-acetyl-1-piperazinyl)-2-[(2-naphthalenylsulfonyl)amino]-3-oxopropyl]- [ACD/Index Name]
N-α-(2-NAPHTHYLSULFONYL)-N(3-AMIDINO-L-PHENYLALANINYL)-4-ACETYL-PIPERAZINE
1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-8,9-DIHYDROXY-7-(SEC-BUTYL)-ANTHRACENE
3-[(2S)-3-(4-acetylpiperazin-1-yl)-2-(naphthalene-2-sulfonamido)-3-oxopropyl]benzene-1-carboximidamide
3-[(2S)-3-(4-acetylpiperazin-1-yl)-2-(naphthalene-2-sulfonamido)-3-oxopropyl]benzenecarboximidamide
3-[(S)-3-(4-Acetyl-piperazin-1-yl)-2-(naphthalene-2-sulfonylamino)-3-oxo-propyl]-benzamidine

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

DXA [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 802.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.7±3.0 kJ/mol
Flash Point: 439.4±37.1 °C
Index of Refraction: 1.669
Molar Refractivity: 138.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.89
ACD/LogD (pH 5.5): -0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.45
ACD/LogD (pH 7.4): -0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.42
Polar Surface Area: 145 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 59.0±7.0 dyne/cm
Molar Volume: 370.4±7.0 cm3

Click to predict properties on the Chemicalize site


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