N-tert-butyl-N'-[6-(4-{[2-(trifluoromethyl)phenyl]methyl}-1,4-diazepan-1-yl)pyridin-3-yl]urea
Chemical Structure Depiction of
N-tert-butyl-N'-[6-(4-{[2-(trifluoromethyl)phenyl]methyl}-1,4-diazepan-1-yl)pyridin-3-yl]urea
N-tert-butyl-N'-[6-(4-{[2-(trifluoromethyl)phenyl]methyl}-1,4-diazepan-1-yl)pyridin-3-yl]urea
Compound characteristics
| Compound ID: | V027-4855 |
| Compound Name: | N-tert-butyl-N'-[6-(4-{[2-(trifluoromethyl)phenyl]methyl}-1,4-diazepan-1-yl)pyridin-3-yl]urea |
| Molecular Weight: | 449.52 |
| Molecular Formula: | C23 H30 F3 N5 O |
| Salt: | not_available |
| Smiles: | CC(C)(C)NC(Nc1ccc(nc1)N1CCCN(CC1)Cc1ccccc1C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4446 |
| logD: | 5.4219 |
| logSw: | -5.1482 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.884 |
| InChI Key: | VHDNUNPIOKSHML-UHFFFAOYSA-N |