4-chloro-N-{[2-(4-ethoxyphenyl)-2H-benzotriazol-5-yl]carbamothioyl}benzamide
Chemical Structure Depiction of
4-chloro-N-{[2-(4-ethoxyphenyl)-2H-benzotriazol-5-yl]carbamothioyl}benzamide
4-chloro-N-{[2-(4-ethoxyphenyl)-2H-benzotriazol-5-yl]carbamothioyl}benzamide
Compound characteristics
| Compound ID: | 3616-3012 |
| Compound Name: | 4-chloro-N-{[2-(4-ethoxyphenyl)-2H-benzotriazol-5-yl]carbamothioyl}benzamide |
| Molecular Weight: | 451.93 |
| Molecular Formula: | C22 H18 Cl N5 O2 S |
| Smiles: | CCOc1ccc(cc1)n1nc2ccc(cc2n1)NC(NC(c1ccc(cc1)[Cl])=O)=S |
| Stereo: | ACHIRAL |
| logP: | 5.6413 |
| logD: | 5.6348 |
| logSw: | -6.0027 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.397 |
| InChI Key: | BJKDTWOFXOAFAV-UHFFFAOYSA-N |