Found 1 result

Search term: CC(=N)N1CCC(CC1)Oc1ccc(cc1)[C@H](Cc1ccc2ccc(cc2c1)C(N)=N)C(O)=O (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | (+)-2-[4-[(-1-ACETIMIDOYL-4-PIPERIDINYL)OXY]-3-(7-AMIDINO-2-NAPHTHYL)PROPIONIC ACID | C27H30N4O3

(+)-2-[4-[(-1-ACETIMIDOYL-4-PIPERIDINYL)OXY]-3-(7-AMIDINO-2-NAPHTHYL)PROPIONIC ACID

  • Molecular FormulaC27H30N4O3
  • Average mass458.552 Da
  • Monoisotopic mass458.231781 Da
  • ChemSpider ID21542333

More details:

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

(+)-2-[4-[(-1-ACETIMIDOYL-4-PIPERIDINYL)OXY]-3-(7-AMIDINO-2-NAPHTHYL)PROPIONIC ACID
2-Naphthalenepropanoic acid, 7-(aminoiminomethyl)-α-[4-[[1-(1-iminoethyl)-4-piperidinyl]oxy]phenyl]- [ACD/Index Name]
3-(7-Carbamimidoyl-2-naphthyl)-2-{4-[(1-ethanimidoyl-4-piperidinyl)oxy]phenyl}propanoic acid [ACD/IUPAC Name]
3-(7-Carbamimidoyl-2-naphthyl)-2-{4-[(1-ethanimidoyl-4-piperidinyl)oxy]phenyl}propansäure [German] [ACD/IUPAC Name]
Acide 3-(7-carbamimidoyl-2-naphtyl)-2-{4-[(1-ethanimidoyl-4-pipéridinyl)oxy]phényl}propanoïque [French] [ACD/IUPAC Name]
BX3

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

Density: 1.3±0.1 g/cm3
Boiling Point: 642.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.7±3.0 kJ/mol
Flash Point: 342.5±34.3 °C
Index of Refraction: 1.652
Molar Refractivity: 129.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.94
ACD/LogD (pH 5.5): -0.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 123 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 53.2±7.0 dyne/cm
Molar Volume: 354.0±7.0 cm3

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