5-{[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}-6-chloro-1,3-dimethyl-1,3-dihydro-2H-benzimidazol-2-one
Chemical Structure Depiction of
5-{[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}-6-chloro-1,3-dimethyl-1,3-dihydro-2H-benzimidazol-2-one
5-{[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}-6-chloro-1,3-dimethyl-1,3-dihydro-2H-benzimidazol-2-one
Compound characteristics
| Compound ID: | 8018-6714 |
| Compound Name: | 5-{[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}-6-chloro-1,3-dimethyl-1,3-dihydro-2H-benzimidazol-2-one |
| Molecular Weight: | 504.01 |
| Molecular Formula: | C26 H22 Cl N5 O2 S |
| Smiles: | CN1C(N(C)c2cc(c(cc12)C(CSc1nnc(Cc2ccccc2)n1c1ccccc1)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.6331 |
| logD: | 4.6331 |
| logSw: | -4.9951 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.62 |
| InChI Key: | NQIHKOSKORLRHZ-UHFFFAOYSA-N |