N-(6-{4-[(2,5-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)-2,4-difluorobenzamide
Chemical Structure Depiction of
N-(6-{4-[(2,5-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)-2,4-difluorobenzamide
N-(6-{4-[(2,5-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)-2,4-difluorobenzamide
Compound characteristics
| Compound ID: | V013-0886 |
| Compound Name: | N-(6-{4-[(2,5-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)-2,4-difluorobenzamide |
| Molecular Weight: | 482.53 |
| Molecular Formula: | C26 H28 F2 N4 O3 |
| Salt: | not_available |
| Smiles: | COc1ccc(c(CN2CCCN(CC2)c2ccc(cn2)NC(c2ccc(cc2F)F)=O)c1)OC |
| Stereo: | ACHIRAL |
| logP: | 4.8591 |
| logD: | 3.6304 |
| logSw: | -4.4776 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.429 |
| InChI Key: | DEEJPWVJLUTNBK-UHFFFAOYSA-N |