N-{5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl}-7-methoxy-1-benzoxepine-4-carboxamide
Chemical Structure Depiction of
N-{5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl}-7-methoxy-1-benzoxepine-4-carboxamide
N-{5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl}-7-methoxy-1-benzoxepine-4-carboxamide
Compound characteristics
| Compound ID: | D443-0803 |
| Compound Name: | N-{5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl}-7-methoxy-1-benzoxepine-4-carboxamide |
| Molecular Weight: | 408.45 |
| Molecular Formula: | C22 H17 F N2 O3 S |
| Smiles: | COc1ccc2c(C=C(C=CO2)C(Nc2ncc(Cc3ccc(cc3)F)s2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.5605 |
| logD: | 5.5568 |
| logSw: | -5.2994 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.794 |
| InChI Key: | LBSSORHSEZCMKI-UHFFFAOYSA-N |