N-{6-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-N'-(3,4-difluorophenyl)urea
Chemical Structure Depiction of
N-{6-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-N'-(3,4-difluorophenyl)urea
N-{6-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-N'-(3,4-difluorophenyl)urea
Compound characteristics
| Compound ID: | V018-7731 |
| Compound Name: | N-{6-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-N'-(3,4-difluorophenyl)urea |
| Molecular Weight: | 485.92 |
| Molecular Formula: | C24 H22 Cl F2 N5 O2 |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)c1ccc(cn1)NC(Nc1ccc(c(c1)F)F)=O)C(c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.525 |
| logD: | 5.5218 |
| logSw: | -5.9788 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.382 |
| InChI Key: | BMWATBXSFYUIGY-UHFFFAOYSA-N |