N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-4-chloro-3-(1,1-dioxo-1lambda~6~,2-thiazinan-2-yl)benzamide
Chemical Structure Depiction of
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-4-chloro-3-(1,1-dioxo-1lambda~6~,2-thiazinan-2-yl)benzamide
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-4-chloro-3-(1,1-dioxo-1lambda~6~,2-thiazinan-2-yl)benzamide
Compound characteristics
| Compound ID: | Y042-7007 |
| Compound Name: | N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-4-chloro-3-(1,1-dioxo-1lambda~6~,2-thiazinan-2-yl)benzamide |
| Molecular Weight: | 493.05 |
| Molecular Formula: | C22 H25 Cl N4 O3 S2 |
| Smiles: | CSCC[C@@H](c1nc2ccccc2[nH]1)NC(c1ccc(c(c1)N1CCCCS1(=O)=O)[Cl])=O |
| Stereo: | ABSOLUTE |
| logP: | 2.987 |
| logD: | 2.9867 |
| logSw: | -3.7207 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.942 |
| InChI Key: | AQXHJYXQYUDZSJ-IBGZPJMESA-N |