N-(6-{4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl}pyridin-3-yl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(6-{4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl}pyridin-3-yl)-2H-1,3-benzodioxole-5-carboxamide
N-(6-{4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl}pyridin-3-yl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V003-7880 |
| Compound Name: | N-(6-{4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl}pyridin-3-yl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 512.49 |
| Molecular Formula: | C26 H23 F3 N4 O4 |
| Smiles: | C1CN(CCN(C1)c1ccc(cn1)NC(c1ccc2c(c1)OCO2)=O)C(c1ccc(cc1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7343 |
| logD: | 4.7341 |
| logSw: | -4.706 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.286 |
| InChI Key: | JHYYVJTUIKRHPT-UHFFFAOYSA-N |