N-{[2-(4-ethoxyphenyl)-2H-benzotriazol-5-yl]carbamothioyl}-3-methoxybenzamide
Chemical Structure Depiction of
N-{[2-(4-ethoxyphenyl)-2H-benzotriazol-5-yl]carbamothioyl}-3-methoxybenzamide
N-{[2-(4-ethoxyphenyl)-2H-benzotriazol-5-yl]carbamothioyl}-3-methoxybenzamide
Compound characteristics
| Compound ID: | 4490-2190 |
| Compound Name: | N-{[2-(4-ethoxyphenyl)-2H-benzotriazol-5-yl]carbamothioyl}-3-methoxybenzamide |
| Molecular Weight: | 447.51 |
| Molecular Formula: | C23 H21 N5 O3 S |
| Smiles: | CCOc1ccc(cc1)n1nc2ccc(cc2n1)NC(NC(c1cccc(c1)OC)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 5.1087 |
| logD: | 5.1085 |
| logSw: | -4.9946 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.941 |
| InChI Key: | YZAARMFUVCSACQ-UHFFFAOYSA-N |