N-(3-chloro-4-fluorophenyl)-N'-{6-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}urea
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-N'-{6-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}urea
N-(3-chloro-4-fluorophenyl)-N'-{6-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}urea
Compound characteristics
| Compound ID: | V025-3608 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-N'-{6-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}urea |
| Molecular Weight: | 485.92 |
| Molecular Formula: | C24 H22 Cl F2 N5 O2 |
| Smiles: | C1CN(CCN(C1)c1ccc(cn1)NC(Nc1ccc(c(c1)[Cl])F)=O)C(c1cccc(c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3585 |
| logD: | 5.3553 |
| logSw: | -6.0029 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.382 |
| InChI Key: | KJINUFLQZBCJRA-UHFFFAOYSA-N |