3-tert-butyl-1-(2,4-dimethylphenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-4-(thiophen-3-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
3-tert-butyl-1-(2,4-dimethylphenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-4-(thiophen-3-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
3-tert-butyl-1-(2,4-dimethylphenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-4-(thiophen-3-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | V027-8480 |
| Compound Name: | 3-tert-butyl-1-(2,4-dimethylphenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-4-(thiophen-3-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 522.73 |
| Molecular Formula: | C28 H34 N4 O2 S2 |
| Salt: | not_available |
| Smiles: | Cc1ccc(c(C)c1)n1c2c(C(c3ccsc3)SCC(N2CC(N2CCCC2)=O)=O)c(C(C)(C)C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0325 |
| logD: | 6.0325 |
| logSw: | -5.3612 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.772 |
| InChI Key: | VUZXSQUOOMMPPO-VWLOTQADSA-N |