2-{[(3,4-dimethylphenyl)methyl]sulfanyl}-N,N-diethyl-1-(propan-2-yl)-1H-benzimidazole-5-sulfonamide
Chemical Structure Depiction of
2-{[(3,4-dimethylphenyl)methyl]sulfanyl}-N,N-diethyl-1-(propan-2-yl)-1H-benzimidazole-5-sulfonamide
2-{[(3,4-dimethylphenyl)methyl]sulfanyl}-N,N-diethyl-1-(propan-2-yl)-1H-benzimidazole-5-sulfonamide
Compound characteristics
| Compound ID: | V012-0091 |
| Compound Name: | 2-{[(3,4-dimethylphenyl)methyl]sulfanyl}-N,N-diethyl-1-(propan-2-yl)-1H-benzimidazole-5-sulfonamide |
| Molecular Weight: | 445.65 |
| Molecular Formula: | C23 H31 N3 O2 S2 |
| Salt: | not_available |
| Smiles: | CCN(CC)S(c1ccc2c(c1)nc(n2C(C)C)SCc1ccc(C)c(C)c1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8605 |
| logD: | 5.8594 |
| logSw: | -5.5242 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 42.921 |
| InChI Key: | RQWHUWMERBTHKM-UHFFFAOYSA-N |