2-chloro-N-(2-{[2-(1H-indol-3-yl)ethyl][(2-methoxyphenyl)methyl]amino}-2-oxoethyl)-N-(2-methoxyethyl)-4-nitrobenzamide
Chemical Structure Depiction of
2-chloro-N-(2-{[2-(1H-indol-3-yl)ethyl][(2-methoxyphenyl)methyl]amino}-2-oxoethyl)-N-(2-methoxyethyl)-4-nitrobenzamide
2-chloro-N-(2-{[2-(1H-indol-3-yl)ethyl][(2-methoxyphenyl)methyl]amino}-2-oxoethyl)-N-(2-methoxyethyl)-4-nitrobenzamide
Compound characteristics
| Compound ID: | V001-5060 |
| Compound Name: | 2-chloro-N-(2-{[2-(1H-indol-3-yl)ethyl][(2-methoxyphenyl)methyl]amino}-2-oxoethyl)-N-(2-methoxyethyl)-4-nitrobenzamide |
| Molecular Weight: | 579.05 |
| Molecular Formula: | C30 H31 Cl N4 O6 |
| Smiles: | COCCN(CC(N(CCc1c[nH]c2ccccc12)Cc1ccccc1OC)=O)C(c1ccc(cc1[Cl])[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3784 |
| logD: | 4.3784 |
| logSw: | -4.7015 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.315 |
| InChI Key: | VWETZNZOVZGSBZ-UHFFFAOYSA-N |