benzyl 4-[5-(3,5-difluorobenzamido)pyridin-2-yl]-1,4-diazepane-1-carboxylate
Chemical Structure Depiction of
benzyl 4-[5-(3,5-difluorobenzamido)pyridin-2-yl]-1,4-diazepane-1-carboxylate
benzyl 4-[5-(3,5-difluorobenzamido)pyridin-2-yl]-1,4-diazepane-1-carboxylate
Compound characteristics
| Compound ID: | V014-1442 |
| Compound Name: | benzyl 4-[5-(3,5-difluorobenzamido)pyridin-2-yl]-1,4-diazepane-1-carboxylate |
| Molecular Weight: | 466.49 |
| Molecular Formula: | C25 H24 F2 N4 O3 |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)c1ccc(cn1)NC(c1cc(cc(c1)F)F)=O)C(=O)OCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.5627 |
| logD: | 5.536 |
| logSw: | -5.6058 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.598 |
| InChI Key: | TYHAOWSLARIFPG-UHFFFAOYSA-N |