2-(thiophen-2-yl)-1-{4-[7-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-1,4-diazepan-1-yl}ethan-1-one
Chemical Structure Depiction of
2-(thiophen-2-yl)-1-{4-[7-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-1,4-diazepan-1-yl}ethan-1-one
2-(thiophen-2-yl)-1-{4-[7-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-1,4-diazepan-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | V004-3175 |
| Compound Name: | 2-(thiophen-2-yl)-1-{4-[7-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-1,4-diazepan-1-yl}ethan-1-one |
| Molecular Weight: | 485.53 |
| Molecular Formula: | C25 H22 F3 N3 O2 S |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)C(Cc1cccs1)=O)C1c2ccccc2Oc2cc(ccc2N=1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 4.6554 |
| logD: | 3.5531 |
| logSw: | -4.7552 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 35.54 |
| InChI Key: | DDYMLDWNEFZWRF-UHFFFAOYSA-N |