3-tert-butyl-1-(3-chlorophenyl)-8-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-(thiophen-2-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-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-(thiophen-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
3-tert-butyl-1-(3-chlorophenyl)-8-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-(thiophen-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | V021-1247 |
| Compound Name: | 3-tert-butyl-1-(3-chlorophenyl)-8-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-(thiophen-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 557.18 |
| Molecular Formula: | C28 H33 Cl N4 O2 S2 |
| Smiles: | CC1CCN(CC1)C(CN1C(CSC(c2c(C(C)(C)C)nn(c3cccc(c3)[Cl])c12)c1cccs1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0283 |
| logD: | 6.0283 |
| logSw: | -6.059 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.707 |
| InChI Key: | PKCHICWHSNISFC-VWLOTQADSA-N |