methyl 3-{[butyl(2-{[(3,4-dichlorophenyl)methyl][2-(1H-indol-3-yl)ethyl]amino}-2-oxoethyl)amino]methyl}benzoate
Chemical Structure Depiction of
methyl 3-{[butyl(2-{[(3,4-dichlorophenyl)methyl][2-(1H-indol-3-yl)ethyl]amino}-2-oxoethyl)amino]methyl}benzoate
methyl 3-{[butyl(2-{[(3,4-dichlorophenyl)methyl][2-(1H-indol-3-yl)ethyl]amino}-2-oxoethyl)amino]methyl}benzoate
Compound characteristics
| Compound ID: | V003-4894 |
| Compound Name: | methyl 3-{[butyl(2-{[(3,4-dichlorophenyl)methyl][2-(1H-indol-3-yl)ethyl]amino}-2-oxoethyl)amino]methyl}benzoate |
| Molecular Weight: | 580.56 |
| Molecular Formula: | C32 H35 Cl2 N3 O3 |
| Salt: | not_available |
| Smiles: | CCCCN(CC(N(CCc1c[nH]c2ccccc12)Cc1ccc(c(c1)[Cl])[Cl])=O)Cc1cccc(c1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 6.9408 |
| logD: | 6.9393 |
| logSw: | -6.5084 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.635 |
| InChI Key: | NMLXTHCKIYGKON-UHFFFAOYSA-N |