3,5-difluoro-N-(6-{4-[(2,3,4-trimethoxyphenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)benzamide
Chemical Structure Depiction of
3,5-difluoro-N-(6-{4-[(2,3,4-trimethoxyphenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)benzamide
3,5-difluoro-N-(6-{4-[(2,3,4-trimethoxyphenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)benzamide
Compound characteristics
| Compound ID: | V021-9113 |
| Compound Name: | 3,5-difluoro-N-(6-{4-[(2,3,4-trimethoxyphenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)benzamide |
| Molecular Weight: | 512.56 |
| Molecular Formula: | C27 H30 F2 N4 O4 |
| Salt: | not_available |
| Smiles: | COc1ccc(CN2CCCN(CC2)c2ccc(cn2)NC(c2cc(cc(c2)F)F)=O)c(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 4.9538 |
| logD: | 3.9656 |
| logSw: | -4.6267 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.319 |
| InChI Key: | HOOBLUNBEXJDRF-UHFFFAOYSA-N |