N-{[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl}thiophene-2-carboxamide
Chemical Structure Depiction of
N-{[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl}thiophene-2-carboxamide
N-{[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl}thiophene-2-carboxamide
Compound characteristics
| Compound ID: | 3820-6891 |
| Compound Name: | N-{[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl}thiophene-2-carboxamide |
| Molecular Weight: | 393.48 |
| Molecular Formula: | C20 H15 N3 O2 S2 |
| Smiles: | Cc1ccc(cc1NC(NC(c1cccs1)=O)=S)c1nc2ccccc2o1 |
| Stereo: | ACHIRAL |
| logP: | 5.0993 |
| logD: | 5.0991 |
| logSw: | -4.8845 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.37 |
| InChI Key: | DDLRNGPHWKYLDY-UHFFFAOYSA-N |