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Search term: CNC(=O)CN[C@H](C1CCCCC1)C(=O)N1CC[C@H]1C(=O)NCc1ccc(cc1)C(N)=N (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | (2S)-N-(4-Carbamimidoylbenzyl)-1-[(2R)-2-cyclohexyl-2-{[2-(methylamino)-2-oxoethyl]amino}acetyl]-2-azetidinecarboxamide | C23H34N6O3

(2S)-N-(4-Carbamimidoylbenzyl)-1-[(2R)-2-cyclohexyl-2-{[2-(methylamino)-2-oxoethyl]amino}acetyl]-2-azetidinecarboxamide

  • Molecular FormulaC23H34N6O3
  • Average mass442.555 Da
  • Monoisotopic mass442.269226 Da
  • ChemSpider ID35034062

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-N-(4-Carbamimidoylbenzyl)-1-[(2R)-2-cyclohexyl-2-{[2-(methylamino)-2-oxoethyl]amino}acetyl]-2-azetidincarboxamid [German] [ACD/IUPAC Name]
(2S)-N-(4-Carbamimidoylbenzyl)-1-[(2R)-2-cyclohexyl-2-{[2-(methylamino)-2-oxoethyl]amino}acetyl]-2-azetidinecarboxamide [ACD/IUPAC Name]
(2S)-N-(4-Carbamimidoylbenzyl)-1-[(2R)-2-cyclohexyl-2-{[2-(méthylamino)-2-oxoéthyl]amino}acétyl]-2-azétidinecarboxamide [French] [ACD/IUPAC Name]
(2s)-N-[(4-Carbamimidoylphenyl)methyl]-1-[(2r)-2-Cyclohexyl-2-[[2-(Methylamino)-2-Oxidanylidene-Ethyl]amino]ethanoyl]azetidine-2-Carboxamide
2-Azetidinecarboxamide, N-[[4-(aminoiminomethyl)phenyl]methyl]-1-[(2R)-2-cyclohexyl-2-[[2-(methylamino)-2-oxoethyl]amino]acetyl]-, (2S)- [ACD/Index Name]
M6S

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.658
Molar Refractivity: 120.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 0.32
ACD/LogD (pH 5.5): -1.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 140 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 56.6±7.0 dyne/cm
Molar Volume: 326.4±7.0 cm3

Click to predict properties on the Chemicalize site


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