4CQ5Zxk5FB
2-[4-[1-[2-[(3R)-3-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]-4-phenylpiperidine-4-carbonyl]piperazin-1-yl]acetic acid
Also Known As: AVE-5883 (R)-isomer|1-Piperazineacetic acid, 4-((1-(2-((3R)-3-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxybenzoyl)-3-pyrrolidinyl)ethyl)-4-phenyl-4-piperidinyl)carbonyl)-|2-(4-(1-(2-((3R)-3-(3,4-Dichlorophenyl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl)ethyl)-4-phenyl-piperidine-4-carbonyl)piperazin-1-yl)acetic acid|4-((1-(2-((3R)-3-(3,4-Dichlorophenyl)-1-(3,4,5-trimethoxybenzoyl)-3-pyrrolidinyl)ethyl)-4-phenyl-4-piperidinyl)carbonyl)-1-piperazineacetic acid
| Molecular Formula | C40H48Cl2N4O7 |
|---|---|
| Molecular Weight | 766.29 g/mol |
| LogP | 5.4558 |
| Topological Polar Surface Area | 112.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 766.29 |
| Monoisotopic Mass | 766.29 |
| Heavy Atoms | 53 |
| Complexity | 1769.7305 |
Chemical Identifiers
| CAS Number | 209666-36-4 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)N2CC[C@](C2)(CCN3CCC(CC3)(C4=CC=CC=C4)C(=O)N5CCN(CC5)CC(=O)O)C6=CC(=C(C=C6)Cl)Cl |
Product Overview
4CQ5Zxk5FB (CAS 209666-36-4), with molecular formula C40H48Cl2N4O7 and molecular weight 766.29 g/mol. IUPAC: 2-[4-[1-[2-[(3R)-3-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]-4-phenylpiperidine-4-carbonyl]piperazin-1-yl]acetic acid.