N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-3-(5-methoxy-1H-indol-1-yl)propanamide
Chemical Structure Depiction of
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-3-(5-methoxy-1H-indol-1-yl)propanamide
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-3-(5-methoxy-1H-indol-1-yl)propanamide
Compound characteristics
| Compound ID: | Y042-6754 |
| Compound Name: | N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-3-(5-methoxy-1H-indol-1-yl)propanamide |
| Molecular Weight: | 422.55 |
| Molecular Formula: | C23 H26 N4 O2 S |
| Smiles: | COc1ccc2c(ccn2CCC(N[C@@H](CCSC)c2nc3ccccc3[nH]2)=O)c1 |
| Stereo: | ABSOLUTE |
| logP: | 4.0245 |
| logD: | 4.0238 |
| logSw: | -4.1874 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.993 |
| InChI Key: | BVMQKRZDVRQOQP-FQEVSTJZSA-N |