N-{6-[4-(phenoxyacetyl)-1,4-diazepan-1-yl]pyridin-3-yl}-N'-[4-(trifluoromethyl)phenyl]urea
Chemical Structure Depiction of
N-{6-[4-(phenoxyacetyl)-1,4-diazepan-1-yl]pyridin-3-yl}-N'-[4-(trifluoromethyl)phenyl]urea
N-{6-[4-(phenoxyacetyl)-1,4-diazepan-1-yl]pyridin-3-yl}-N'-[4-(trifluoromethyl)phenyl]urea
Compound characteristics
| Compound ID: | V021-7975 |
| Compound Name: | N-{6-[4-(phenoxyacetyl)-1,4-diazepan-1-yl]pyridin-3-yl}-N'-[4-(trifluoromethyl)phenyl]urea |
| Molecular Weight: | 513.52 |
| Molecular Formula: | C26 H26 F3 N5 O3 |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)c1ccc(cn1)NC(Nc1ccc(cc1)C(F)(F)F)=O)C(COc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2151 |
| logD: | 5.2148 |
| logSw: | -5.2261 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.354 |
| InChI Key: | VDGRDDGYQNMESU-UHFFFAOYSA-N |