N-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl}-4-tert-butylbenzamide
Chemical Structure Depiction of
N-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl}-4-tert-butylbenzamide
N-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl}-4-tert-butylbenzamide
Compound characteristics
| Compound ID: | 4059-1819 |
| Compound Name: | N-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl}-4-tert-butylbenzamide |
| Molecular Weight: | 459.57 |
| Molecular Formula: | C26 H25 N3 O3 S |
| Smiles: | CC(C)(C)c1ccc(cc1)C(NC(Nc1cc(ccc1OC)c1nc2ccccc2o1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 6.777 |
| logD: | 6.7768 |
| logSw: | -5.7361 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.983 |
| InChI Key: | MLXYSKRWSBUICH-UHFFFAOYSA-N |