N-{6-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]pyridin-3-yl}-N'-[4-(trifluoromethyl)phenyl]urea
Chemical Structure Depiction of
N-{6-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]pyridin-3-yl}-N'-[4-(trifluoromethyl)phenyl]urea
N-{6-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]pyridin-3-yl}-N'-[4-(trifluoromethyl)phenyl]urea
Compound characteristics
| Compound ID: | V013-9187 |
| Compound Name: | N-{6-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]pyridin-3-yl}-N'-[4-(trifluoromethyl)phenyl]urea |
| Molecular Weight: | 519.54 |
| Molecular Formula: | C24 H24 F3 N5 O3 S |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)S(c1ccccc1)(=O)=O)c1ccc(cn1)NC(Nc1ccc(cc1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5057 |
| logD: | 5.5057 |
| logSw: | -5.6835 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.445 |
| InChI Key: | FIRWKLFSHHNFJS-UHFFFAOYSA-N |