3-tert-butyl-1-(3-chlorophenyl)-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-(3-chlorophenyl)-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-(3-chlorophenyl)-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: | V013-8277 |
| Compound Name: | 3-tert-butyl-1-(3-chlorophenyl)-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: | 529.12 |
| Molecular Formula: | C26 H29 Cl N4 O2 S2 |
| Smiles: | CC(C)(C)c1c2C(c3ccsc3)SCC(N(CC(N3CCCC3)=O)c2n(c2cccc(c2)[Cl])n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.567 |
| logD: | 5.567 |
| logSw: | -5.8195 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.073 |
| InChI Key: | ZOPSMOFWDQUZIC-QHCPKHFHSA-N |