1,3-dimethyl-5-({[4-methyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-1,3-dihydro-2H-benzimidazol-2-one
Chemical Structure Depiction of
1,3-dimethyl-5-({[4-methyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-1,3-dihydro-2H-benzimidazol-2-one
1,3-dimethyl-5-({[4-methyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-1,3-dihydro-2H-benzimidazol-2-one
Compound characteristics
| Compound ID: | 8018-3730 |
| Compound Name: | 1,3-dimethyl-5-({[4-methyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-1,3-dihydro-2H-benzimidazol-2-one |
| Molecular Weight: | 407.49 |
| Molecular Formula: | C21 H21 N5 O2 S |
| Smiles: | Cc1ccc(cc1)c1nnc(n1C)SCC(c1ccc2c(c1)N(C)C(N2C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.387 |
| logD: | 3.387 |
| logSw: | -3.8884 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.982 |
| InChI Key: | KZTJPTPKWQSCIN-UHFFFAOYSA-N |