methyl 4-{[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]carbamamido}benzoate
Chemical Structure Depiction of
methyl 4-{[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]carbamamido}benzoate
methyl 4-{[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]carbamamido}benzoate
Compound characteristics
| Compound ID: | Y044-5213 |
| Compound Name: | methyl 4-{[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]carbamamido}benzoate |
| Molecular Weight: | 398.48 |
| Molecular Formula: | C20 H22 N4 O3 S |
| Smiles: | COC(c1ccc(cc1)NC(N[C@@H](CCSC)c1nc2ccccc2[nH]1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.4441 |
| logD: | 3.444 |
| logSw: | -3.8185 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 73.959 |
| InChI Key: | KGWFTYVSIOJNEY-KRWDZBQOSA-N |