7-methyl-4-[(4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}phenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
7-methyl-4-[(4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}phenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one
7-methyl-4-[(4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}phenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | V006-6111 |
| Compound Name: | 7-methyl-4-[(4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}phenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 509.53 |
| Molecular Formula: | C28 H26 F3 N3 O3 |
| Smiles: | Cc1ccc2c(c1)OCC(N2Cc1ccc(cc1)C(N1CCN(CC1)c1cccc(c1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6199 |
| logD: | 4.6199 |
| logSw: | -4.4806 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.977 |
| InChI Key: | CPTCSNOTOASFEE-UHFFFAOYSA-N |