N-{6-[4-(4-chlorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]pyridin-3-yl}-N'-(3,4-difluorophenyl)urea
Chemical Structure Depiction of
N-{6-[4-(4-chlorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]pyridin-3-yl}-N'-(3,4-difluorophenyl)urea
N-{6-[4-(4-chlorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]pyridin-3-yl}-N'-(3,4-difluorophenyl)urea
Compound characteristics
| Compound ID: | V012-2340 |
| Compound Name: | N-{6-[4-(4-chlorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]pyridin-3-yl}-N'-(3,4-difluorophenyl)urea |
| Molecular Weight: | 521.97 |
| Molecular Formula: | C23 H22 Cl F2 N5 O3 S |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)S(c1ccc(cc1)[Cl])(=O)=O)c1ccc(cn1)NC(Nc1ccc(c(c1)F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7694 |
| logD: | 5.7662 |
| logSw: | -6.0635 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.445 |
| InChI Key: | JENIUSASDKGFIJ-UHFFFAOYSA-N |