N-[3-(azepane-1-carbonyl)phenyl]-5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-[3-(azepane-1-carbonyl)phenyl]-5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
N-[3-(azepane-1-carbonyl)phenyl]-5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F912-0954 |
| Compound Name: | N-[3-(azepane-1-carbonyl)phenyl]-5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 454.52 |
| Molecular Formula: | C23 H23 F N4 O3 S |
| Smiles: | C1CCCN(CC1)C(c1cccc(c1)NC(c1nnc(COc2ccc(cc2)F)s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9334 |
| logD: | 3.9333 |
| logSw: | -4.0049 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.536 |
| InChI Key: | KPMLXBZWROBSGD-UHFFFAOYSA-N |