4-(2,4-difluorophenyl)-1-(2-methylphenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-3-(thiophen-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
4-(2,4-difluorophenyl)-1-(2-methylphenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-3-(thiophen-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-(2,4-difluorophenyl)-1-(2-methylphenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-3-(thiophen-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | V018-0849 |
| Compound Name: | 4-(2,4-difluorophenyl)-1-(2-methylphenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-3-(thiophen-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 580.68 |
| Molecular Formula: | C29 H26 F2 N4 O3 S2 |
| Smiles: | Cc1ccccc1n1c2c(C(c3ccc(cc3F)F)SCC(N2CC(N2CCOCC2)=O)=O)c(c2cccs2)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0106 |
| logD: | 5.0106 |
| logSw: | -4.6413 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.043 |
| InChI Key: | KAIOQOOEUFOFLY-MUUNZHRXSA-N |