4-(2-methoxyphenyl)-1-(4-methylphenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
4-(2-methoxyphenyl)-1-(4-methylphenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-(2-methoxyphenyl)-1-(4-methylphenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | V020-7884 |
| Compound Name: | 4-(2-methoxyphenyl)-1-(4-methylphenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 552.7 |
| Molecular Formula: | C32 H32 N4 O3 S |
| Smiles: | Cc1ccc(cc1)n1c2c(C(c3ccccc3OC)SCC(N2CC(N2CCCC2)=O)=O)c(c2ccccc2)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7827 |
| logD: | 5.7827 |
| logSw: | -5.4858 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.414 |
| InChI Key: | YEHMHLWRSNVTKG-WJOKGBTCSA-N |