N-(3-chloro-4-fluorophenyl)-N'-{6-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}urea
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-N'-{6-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}urea
N-(3-chloro-4-fluorophenyl)-N'-{6-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}urea
Compound characteristics
| Compound ID: | V017-7783 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-N'-{6-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}urea |
| Molecular Weight: | 481.96 |
| Molecular Formula: | C25 H25 Cl F N5 O2 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)C(N1CCCN(CC1)c1ccc(cn1)NC(Nc1ccc(c(c1)[Cl])F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7432 |
| logD: | 5.74 |
| logSw: | -5.9792 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.382 |
| InChI Key: | ITKASEFVOBQRAJ-UHFFFAOYSA-N |