3-(2,6-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-4-(thiophen-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
3-(2,6-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-4-(thiophen-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
3-(2,6-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-4-(thiophen-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | V003-9261 |
| Compound Name: | 3-(2,6-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-4-(thiophen-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 602.78 |
| Molecular Formula: | C32 H34 N4 O4 S2 |
| Smiles: | Cc1cccc(c1C)n1c2c(C(c3cccs3)SCC(N2CC(N2CCCC2)=O)=O)c(c2c(cccc2OC)OC)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2499 |
| logD: | 5.2499 |
| logSw: | -5.1495 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.762 |
| InChI Key: | KDRQOZMYZVPMNI-HKBQPEDESA-N |