N-{[2-(4-chlorophenyl)-2H-benzotriazol-5-yl]carbamothioyl}furan-2-carboxamide
Chemical Structure Depiction of
N-{[2-(4-chlorophenyl)-2H-benzotriazol-5-yl]carbamothioyl}furan-2-carboxamide
N-{[2-(4-chlorophenyl)-2H-benzotriazol-5-yl]carbamothioyl}furan-2-carboxamide
Compound characteristics
| Compound ID: | 3616-1776 |
| Compound Name: | N-{[2-(4-chlorophenyl)-2H-benzotriazol-5-yl]carbamothioyl}furan-2-carboxamide |
| Molecular Weight: | 397.84 |
| Molecular Formula: | C18 H12 Cl N5 O2 S |
| Smiles: | c1cc(C(NC(Nc2ccc3c(c2)nn(c2ccc(cc2)[Cl])n3)=S)=O)oc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5448 |
| logD: | 4.5446 |
| logSw: | -4.8075 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.852 |
| InChI Key: | QKJIIGHBYRPIQT-UHFFFAOYSA-N |