N-{[2-(4-methoxyphenyl)-2H-benzotriazol-5-yl]carbamothioyl}-1-benzofuran-2-carboxamide
Chemical Structure Depiction of
N-{[2-(4-methoxyphenyl)-2H-benzotriazol-5-yl]carbamothioyl}-1-benzofuran-2-carboxamide
N-{[2-(4-methoxyphenyl)-2H-benzotriazol-5-yl]carbamothioyl}-1-benzofuran-2-carboxamide
Compound characteristics
| Compound ID: | 4059-1998 |
| Compound Name: | N-{[2-(4-methoxyphenyl)-2H-benzotriazol-5-yl]carbamothioyl}-1-benzofuran-2-carboxamide |
| Molecular Weight: | 443.48 |
| Molecular Formula: | C23 H17 N5 O3 S |
| Smiles: | COc1ccc(cc1)n1nc2ccc(cc2n1)NC(NC(c1cc2ccccc2o1)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 5.6153 |
| logD: | 5.6149 |
| logSw: | -6.2048 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.111 |
| InChI Key: | XQUQGKNPBRKTOI-UHFFFAOYSA-N |