1,3-dimethyl-5-({[5-(naphthalen-1-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-1,3-dihydro-2H-benzimidazol-2-one
Chemical Structure Depiction of
1,3-dimethyl-5-({[5-(naphthalen-1-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-1,3-dihydro-2H-benzimidazol-2-one
1,3-dimethyl-5-({[5-(naphthalen-1-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-1,3-dihydro-2H-benzimidazol-2-one
Compound characteristics
| Compound ID: | 8018-3729 |
| Compound Name: | 1,3-dimethyl-5-({[5-(naphthalen-1-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-1,3-dihydro-2H-benzimidazol-2-one |
| Molecular Weight: | 505.6 |
| Molecular Formula: | C29 H23 N5 O2 S |
| Smiles: | CN1C(N(C)c2cc(ccc12)C(CSc1nnc(c2cccc3ccccc23)n1c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1724 |
| logD: | 5.1724 |
| logSw: | -5.8959 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.373 |
| InChI Key: | KHYJIBLACNBFCA-UHFFFAOYSA-N |