3-(octahydro-2H-pyrido[1,2-a]pyrazin-2-yl)-1-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propan-1-one--but-2-enedioic acid (1/2)
Chemical Structure Depiction of
3-(octahydro-2H-pyrido[1,2-a]pyrazin-2-yl)-1-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propan-1-one--but-2-enedioic acid (1/2)
3-(octahydro-2H-pyrido[1,2-a]pyrazin-2-yl)-1-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propan-1-one--but-2-enedioic acid (1/2)
Compound characteristics
| Compound ID: | 1759-0014 |
| Compound Name: | 3-(octahydro-2H-pyrido[1,2-a]pyrazin-2-yl)-1-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propan-1-one--but-2-enedioic acid (1/2) |
| Molecular Weight: | 693.7 |
| Molecular Formula: | C24 H26 F3 N3 O S |
| Salt: | 2HOOCCH=CHCOOH |
| Smiles: | C1CCN2CCN(CCC(N3c4ccccc4Sc4ccc(cc34)C(F)(F)F)=O)CC2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3182 |
| logD: | 3.5333 |
| logSw: | -4.3621 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 20.5929 |
| InChI Key: | KAVQQYSUMOZNRQ-SFHVURJKSA-N |