(2H-1,3-benzodioxol-5-yl){4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-1,4-diazepan-1-yl}methanone
Chemical Structure Depiction of
(2H-1,3-benzodioxol-5-yl){4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-1,4-diazepan-1-yl}methanone
(2H-1,3-benzodioxol-5-yl){4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-1,4-diazepan-1-yl}methanone
Compound characteristics
| Compound ID: | V005-5002 |
| Compound Name: | (2H-1,3-benzodioxol-5-yl){4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-1,4-diazepan-1-yl}methanone |
| Molecular Weight: | 539.51 |
| Molecular Formula: | C28 H24 F3 N3 O5 |
| Salt: | not_available |
| Smiles: | COc1ccc2c(c1)C(=Nc1cc(ccc1O2)C(F)(F)F)N1CCCN(CC1)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7212 |
| logD: | 3.1228 |
| logSw: | -4.5367 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.708 |
| InChI Key: | QEMORNCMQSSSMN-UHFFFAOYSA-N |