5-({[5-benzyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-1,3-dimethyl-1,3-dihydro-2H-benzimidazol-2-one
Chemical Structure Depiction of
5-({[5-benzyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-1,3-dimethyl-1,3-dihydro-2H-benzimidazol-2-one
5-({[5-benzyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-1,3-dimethyl-1,3-dihydro-2H-benzimidazol-2-one
Compound characteristics
| Compound ID: | 8018-3732 |
| Compound Name: | 5-({[5-benzyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-1,3-dimethyl-1,3-dihydro-2H-benzimidazol-2-one |
| Molecular Weight: | 433.53 |
| Molecular Formula: | C23 H23 N5 O2 S |
| Smiles: | CN1C(N(C)c2cc(ccc12)C(CSc1nnc(Cc2ccccc2)n1CC=C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4228 |
| logD: | 3.4228 |
| logSw: | -3.9937 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.127 |
| InChI Key: | SHXLEHCRTJHZCM-UHFFFAOYSA-N |