N-[(3-methylphenyl)methyl]-4-[7-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
N-[(3-methylphenyl)methyl]-4-[7-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-1,4-diazepane-1-carboxamide
N-[(3-methylphenyl)methyl]-4-[7-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V004-3805 |
| Compound Name: | N-[(3-methylphenyl)methyl]-4-[7-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 508.54 |
| Molecular Formula: | C28 H27 F3 N4 O2 |
| Salt: | not_available |
| Smiles: | Cc1cccc(CNC(N2CCCN(CC2)C2c3ccccc3Oc3cc(ccc3N=2)C(F)(F)F)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.5012 |
| logD: | 4.3989 |
| logSw: | -5.4913 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.192 |
| InChI Key: | HZGCHKRVFYJRQF-UHFFFAOYSA-N |