5-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-6H-anthra[1,9-cd][1,2]oxazol-6-one
Chemical Structure Depiction of
5-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-6H-anthra[1,9-cd][1,2]oxazol-6-one
5-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-6H-anthra[1,9-cd][1,2]oxazol-6-one
Compound characteristics
| Compound ID: | C090-0188 |
| Compound Name: | 5-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-6H-anthra[1,9-cd][1,2]oxazol-6-one |
| Molecular Weight: | 598.58 |
| Molecular Formula: | C33 H25 F3 N4 O4 |
| Smiles: | C1CN(CCN1c1cccc(c1)C(F)(F)F)c1cc(c2C(c3ccccc3c3c2c1no3)=O)Nc1ccc2c(c1)OCCO2 |
| Stereo: | ACHIRAL |
| logP: | 7.1121 |
| logD: | 7.1121 |
| logSw: | -6.4328 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.63 |
| InChI Key: | WTCAHZHBDSFZTK-UHFFFAOYSA-N |