N,N-diethyl-3-oxo-4-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
Chemical Structure Depiction of
N,N-diethyl-3-oxo-4-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
N,N-diethyl-3-oxo-4-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
Compound characteristics
| Compound ID: | K788-9960 |
| Compound Name: | N,N-diethyl-3-oxo-4-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide |
| Molecular Weight: | 554.59 |
| Molecular Formula: | C25 H29 F3 N4 O5 S |
| Smiles: | CCN(CC)S(c1ccc2c(c1)N(CC(N1CCN(CC1)c1cccc(c1)C(F)(F)F)=O)C(CO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.766 |
| logD: | 2.766 |
| logSw: | -3.4302 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.817 |
| InChI Key: | PZPYISJPUOXBSQ-UHFFFAOYSA-N |