N-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl}-3-methylbutanamide
Chemical Structure Depiction of
N-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl}-3-methylbutanamide
N-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl}-3-methylbutanamide
Compound characteristics
| Compound ID: | 4671-0568 |
| Compound Name: | N-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl}-3-methylbutanamide |
| Molecular Weight: | 383.47 |
| Molecular Formula: | C20 H21 N3 O3 S |
| Smiles: | CC(C)CC(NC(Nc1cc(ccc1OC)c1nc2ccccc2o1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4597 |
| logD: | 4.4594 |
| logSw: | -4.3501 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.041 |
| InChI Key: | FBLKIVYBVKZYOQ-UHFFFAOYSA-N |