ChemSpider 2D Image | (2S)-5-Oxo-2-[(phenylsulfonyl)amino]-5-{4-[3-(1,4,5,6-tetrahydro-2-pyrimidinylamino)phenyl]-1-piperazinyl}pentanoic acid | C25H32N6O5S

(2S)-5-Oxo-2-[(phenylsulfonyl)amino]-5-{4-[3-(1,4,5,6-tetrahydro-2-pyrimidinylamino)phenyl]-1-piperazinyl}pentanoic acid

  • Molecular FormulaC25H32N6O5S
  • Average mass528.624 Da
  • Monoisotopic mass528.215515 Da
  • ChemSpider ID23175344

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-5-Oxo-2-[(phenylsulfonyl)amino]-5-{4-[3-(1,4,5,6-tetrahydro-2-pyrimidinylamino)phenyl]-1-piperazinyl}pentanoic acid [ACD/IUPAC Name]
(2S)-5-Oxo-2-[(phenylsulfonyl)amino]-5-{4-[3-(1,4,5,6-tetrahydro-2-pyrimidinylamino)phenyl]-1-piperazinyl}pentansäure [German] [ACD/IUPAC Name]
(2S)-5-oxo-2-[(phenylsulfonyl)amino]-5-{4-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenyl]piperazin-1-yl}pentanoic acid
1-Piperazinepentanoic acid, δ-oxo-α-[(phenylsulfonyl)amino]-4-[3-[(1,4,5,6-tetrahydro-2-pyrimidinyl)amino]phenyl]-, (αS)- [ACD/Index Name]
Acide (2S)-5-oxo-2-[(phénylsulfonyl)amino]-5-{4-[3-(1,4,5,6-tétrahydro-2-pyrimidinylamino)phényl]-1-pipérazinyl}pentanoïque [French] [ACD/IUPAC Name]
(S)-2-Benzenesulfonylamino-5-oxo-5-{4-[3-(1,4,5,6-tetrahydro-pyrimidin-2-ylamino)-phenyl]-piperazin-1-yl}-pentanoic acid
CHEMBL86321

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

Density: 1.4±0.1 g/cm3
Boiling Point: 797.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.6±3.0 kJ/mol
Flash Point: 436.1±35.7 °C
Index of Refraction: 1.674
Molar Refractivity: 140.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 0.75
ACD/LogD (pH 5.5): -1.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 152 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 61.8±7.0 dyne/cm
Molar Volume: 373.0±7.0 cm3

Click to predict properties on the Chemicalize site


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