N-{[2-(4-ethylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}thiophene-2-carboxamide
Chemical Structure Depiction of
N-{[2-(4-ethylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}thiophene-2-carboxamide
N-{[2-(4-ethylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}thiophene-2-carboxamide
Compound characteristics
| Compound ID: | 4059-1939 |
| Compound Name: | N-{[2-(4-ethylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}thiophene-2-carboxamide |
| Molecular Weight: | 407.51 |
| Molecular Formula: | C20 H17 N5 O S2 |
| Smiles: | CCc1ccc(cc1)n1nc2ccc(cc2n1)NC(NC(c1cccs1)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 5.5208 |
| logD: | 5.5205 |
| logSw: | -5.338 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.292 |
| InChI Key: | OVKOCECZVJCRNM-UHFFFAOYSA-N |