3-(4-chlorophenyl)-1-(4-methoxyphenyl)-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-(4-chlorophenyl)-1-(4-methoxyphenyl)-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-(4-chlorophenyl)-1-(4-methoxyphenyl)-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: | V007-1496 |
| Compound Name: | 3-(4-chlorophenyl)-1-(4-methoxyphenyl)-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: | 579.14 |
| Molecular Formula: | C29 H27 Cl N4 O3 S2 |
| Smiles: | COc1ccc(cc1)n1c2c(C(c3cccs3)SCC(N2CC(N2CCCC2)=O)=O)c(c2ccc(cc2)[Cl])n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5342 |
| logD: | 5.5342 |
| logSw: | -5.9482 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.345 |
| InChI Key: | CNVXVRWAGPSYIF-NDEPHWFRSA-N |