N-{[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}thiophene-2-carboxamide
Chemical Structure Depiction of
N-{[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}thiophene-2-carboxamide
N-{[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}thiophene-2-carboxamide
Compound characteristics
| Compound ID: | 3820-6886 |
| Compound Name: | N-{[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}thiophene-2-carboxamide |
| Molecular Weight: | 393.48 |
| Molecular Formula: | C20 H15 N3 O2 S2 |
| Smiles: | Cc1ccccc1c1nc2cc(ccc2o1)NC(NC(c1cccs1)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 5.068 |
| logD: | 5.0679 |
| logSw: | -4.7324 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.068 |
| InChI Key: | KSSOFNMLGSZKCP-UHFFFAOYSA-N |