N-[(2-phenyl-2H-benzotriazol-5-yl)carbamothioyl]thiophene-2-carboxamide
Chemical Structure Depiction of
N-[(2-phenyl-2H-benzotriazol-5-yl)carbamothioyl]thiophene-2-carboxamide
N-[(2-phenyl-2H-benzotriazol-5-yl)carbamothioyl]thiophene-2-carboxamide
Compound characteristics
| Compound ID: | 3820-5759 |
| Compound Name: | N-[(2-phenyl-2H-benzotriazol-5-yl)carbamothioyl]thiophene-2-carboxamide |
| Molecular Weight: | 379.46 |
| Molecular Formula: | C18 H13 N5 O S2 |
| Smiles: | c1ccc(cc1)n1nc2ccc(cc2n1)NC(NC(c1cccs1)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 4.4686 |
| logD: | 4.4683 |
| logSw: | -4.4395 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.292 |
| InChI Key: | VHWCHIOVNNXREY-UHFFFAOYSA-N |