methyl 3-{[cyclopropyl(2-{[(3,4-dichlorophenyl)methyl][2-(1H-indol-3-yl)ethyl]amino}-2-oxoethyl)amino]methyl}benzoate
Chemical Structure Depiction of
methyl 3-{[cyclopropyl(2-{[(3,4-dichlorophenyl)methyl][2-(1H-indol-3-yl)ethyl]amino}-2-oxoethyl)amino]methyl}benzoate
methyl 3-{[cyclopropyl(2-{[(3,4-dichlorophenyl)methyl][2-(1H-indol-3-yl)ethyl]amino}-2-oxoethyl)amino]methyl}benzoate
Compound characteristics
| Compound ID: | V005-6126 |
| Compound Name: | methyl 3-{[cyclopropyl(2-{[(3,4-dichlorophenyl)methyl][2-(1H-indol-3-yl)ethyl]amino}-2-oxoethyl)amino]methyl}benzoate |
| Molecular Weight: | 564.51 |
| Molecular Formula: | C31 H31 Cl2 N3 O3 |
| Salt: | not_available |
| Smiles: | COC(c1cccc(CN(CC(N(CCc2c[nH]c3ccccc23)Cc2ccc(c(c2)[Cl])[Cl])=O)C2CC2)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2937 |
| logD: | 6.2936 |
| logSw: | -6.3047 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.853 |
| InChI Key: | JKGBEKFMAHGBTE-UHFFFAOYSA-N |