4-(2-chlorophenyl)-1-(2,3-dimethylphenyl)-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-chlorophenyl)-1-(2,3-dimethylphenyl)-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-chlorophenyl)-1-(2,3-dimethylphenyl)-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: | V002-4897 |
| Compound Name: | 4-(2-chlorophenyl)-1-(2,3-dimethylphenyl)-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: | 571.14 |
| Molecular Formula: | C32 H31 Cl N4 O2 S |
| Smiles: | Cc1cccc(c1C)n1c2c(C(c3ccccc3[Cl])SCC(N2CC(N2CCCC2)=O)=O)c(c2ccccc2)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.6999 |
| logD: | 6.6999 |
| logSw: | -6.1852 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.482 |
| InChI Key: | PGAUHILABOCENX-WJOKGBTCSA-N |