N-(2-{[2-(1H-indol-3-yl)ethyl][(2-methoxyphenyl)methyl]amino}-2-oxoethyl)-4-methyl-3-nitro-N-(propan-2-yl)benzamide
Chemical Structure Depiction of
N-(2-{[2-(1H-indol-3-yl)ethyl][(2-methoxyphenyl)methyl]amino}-2-oxoethyl)-4-methyl-3-nitro-N-(propan-2-yl)benzamide
N-(2-{[2-(1H-indol-3-yl)ethyl][(2-methoxyphenyl)methyl]amino}-2-oxoethyl)-4-methyl-3-nitro-N-(propan-2-yl)benzamide
Compound characteristics
| Compound ID: | V001-7091 |
| Compound Name: | N-(2-{[2-(1H-indol-3-yl)ethyl][(2-methoxyphenyl)methyl]amino}-2-oxoethyl)-4-methyl-3-nitro-N-(propan-2-yl)benzamide |
| Molecular Weight: | 542.64 |
| Molecular Formula: | C31 H34 N4 O5 |
| Smiles: | CC(C)N(CC(N(CCc1c[nH]c2ccccc12)Cc1ccccc1OC)=O)C(c1ccc(C)c(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2726 |
| logD: | 5.2726 |
| logSw: | -5.4626 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.437 |
| InChI Key: | CDXKJMWVNYVDIE-UHFFFAOYSA-N |