N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methylphenyl)methyl]-N~2~-(4-nitrobenzene-1-sulfonyl)-N~2~-(propan-2-yl)glycinamide
Chemical Structure Depiction of
N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methylphenyl)methyl]-N~2~-(4-nitrobenzene-1-sulfonyl)-N~2~-(propan-2-yl)glycinamide
N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methylphenyl)methyl]-N~2~-(4-nitrobenzene-1-sulfonyl)-N~2~-(propan-2-yl)glycinamide
Compound characteristics
| Compound ID: | V002-7787 |
| Compound Name: | N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methylphenyl)methyl]-N~2~-(4-nitrobenzene-1-sulfonyl)-N~2~-(propan-2-yl)glycinamide |
| Molecular Weight: | 548.66 |
| Molecular Formula: | C29 H32 N4 O5 S |
| Smiles: | CC(C)N(CC(N(CCc1c[nH]c2ccccc12)Cc1ccc(C)cc1)=O)S(c1ccc(cc1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1438 |
| logD: | 5.1438 |
| logSw: | -5.0612 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.31 |
| InChI Key: | PUWCKFUAJCOVMV-UHFFFAOYSA-N |