N-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl}-3-fluorobenzamide
Chemical Structure Depiction of
N-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl}-3-fluorobenzamide
N-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl}-3-fluorobenzamide
Compound characteristics
| Compound ID: | 4028-1881 |
| Compound Name: | N-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl}-3-fluorobenzamide |
| Molecular Weight: | 421.45 |
| Molecular Formula: | C22 H16 F N3 O3 S |
| Smiles: | COc1ccc(cc1NC(NC(c1cccc(c1)F)=O)=S)c1nc2ccccc2o1 |
| Stereo: | ACHIRAL |
| logP: | 5.1052 |
| logD: | 5.1042 |
| logSw: | -5.0131 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.983 |
| InChI Key: | LEHBZKLSGFDHSW-UHFFFAOYSA-N |