N-(2,4-difluorophenyl)-N'-[6-(4-{[4-(dimethylamino)phenyl]methyl}-1,4-diazepan-1-yl)pyridin-3-yl]urea
Chemical Structure Depiction of
N-(2,4-difluorophenyl)-N'-[6-(4-{[4-(dimethylamino)phenyl]methyl}-1,4-diazepan-1-yl)pyridin-3-yl]urea
N-(2,4-difluorophenyl)-N'-[6-(4-{[4-(dimethylamino)phenyl]methyl}-1,4-diazepan-1-yl)pyridin-3-yl]urea
Compound characteristics
| Compound ID: | V001-4615 |
| Compound Name: | N-(2,4-difluorophenyl)-N'-[6-(4-{[4-(dimethylamino)phenyl]methyl}-1,4-diazepan-1-yl)pyridin-3-yl]urea |
| Molecular Weight: | 480.56 |
| Molecular Formula: | C26 H30 F2 N6 O |
| Salt: | not_available |
| Smiles: | CN(C)c1ccc(CN2CCCN(CC2)c2ccc(cn2)NC(Nc2ccc(cc2F)F)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.1274 |
| logD: | 4.9608 |
| logSw: | -4.8677 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.573 |
| InChI Key: | CEVABUWGUXLUMO-UHFFFAOYSA-N |