N-{[2-(4-ethylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}-1-benzofuran-2-carboxamide
Chemical Structure Depiction of
N-{[2-(4-ethylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}-1-benzofuran-2-carboxamide
N-{[2-(4-ethylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}-1-benzofuran-2-carboxamide
Compound characteristics
Compound ID: | 4059-2000 |
Compound Name: | N-{[2-(4-ethylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}-1-benzofuran-2-carboxamide |
Molecular Weight: | 441.51 |
Molecular Formula: | C24 H19 N5 O2 S |
Smiles: | CCc1ccc(cc1)n1nc2ccc(cc2n1)NC(NC(c1cc2ccccc2o1)=O)=S |
Stereo: | ACHIRAL |
logP: | 6.5636 |
logD: | 6.5632 |
logSw: | -6.32 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 65.567 |
InChI Key: | SCRTZGLWQZPOEE-UHFFFAOYSA-N |