9-(2-chlorophenyl)-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one

• ChemBase ID: 217205
• Molecular Formular: C24H13ClN2O
• Molecular Mass: 380.82582
• Monoisotopic Mass: 380.07164073
• SMILES: n12c(=O)c3c(c4c1c(c(c1c(Cl)cccc1)cn4)c1c2cccc1)cccc3
• Canonical SMILES: Clc1ccccc1c1cnc2c3c1c1ccccc1n3c(=O)c1c2cccc1
• InChI: InChI=1S/C24H13ClN2O/c25-19-11-5-3-7-14(19)18-13-26-22-15-8-1-2-9-16(15)24(28)27-20-12-6-4-10-17(20)21(18)23(22)27/h1-13H
• InChIKey: VLFLRYVMVHVJGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-(2-chlorophenyl)-1,11-diazapentacyclo[10.7.1.0^2,^7.0^8,^2^0.0^1^3,^1^8]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one
• IUPAC Traditional name: 9-(2-chlorophenyl)-1,11-diazapentacyclo[10.7.1.0^2,^7.0^8,^2^0.0^1^3,^1^8]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one

Database IDs

• PubChem SID: 164273115
• PubChem CID: 8016614

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.3582206
• LogD (pH = 7.4): 5.358296
• Log P: 5.358297
• Molar Refractivity: 109.9033 cm^3
• Polarizability: 47.33132 Å^3
• Polar Surface Area: 34.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds