N-[3,5-bis(trifluoromethyl)phenyl]-4-{5-[(4-methoxyphenyl)methyl]-2,6-dimethylpyrimidin-4-yl}-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
N-[3,5-bis(trifluoromethyl)phenyl]-4-{5-[(4-methoxyphenyl)methyl]-2,6-dimethylpyrimidin-4-yl}-1,4-diazepane-1-carboxamide
N-[3,5-bis(trifluoromethyl)phenyl]-4-{5-[(4-methoxyphenyl)methyl]-2,6-dimethylpyrimidin-4-yl}-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V005-6394 |
| Compound Name: | N-[3,5-bis(trifluoromethyl)phenyl]-4-{5-[(4-methoxyphenyl)methyl]-2,6-dimethylpyrimidin-4-yl}-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 581.56 |
| Molecular Formula: | C28 H29 F6 N5 O2 |
| Salt: | not_available |
| Smiles: | Cc1c(Cc2ccc(cc2)OC)c(nc(C)n1)N1CCCN(CC1)C(Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8235 |
| logD: | 6.7279 |
| logSw: | -5.6973 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.265 |
| InChI Key: | SESIIMKQEDTEGV-UHFFFAOYSA-N |