3-(4-chlorophenyl)-1-(4-methylphenyl)-8-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-(thiophen-3-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
3-(4-chlorophenyl)-1-(4-methylphenyl)-8-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-(thiophen-3-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
3-(4-chlorophenyl)-1-(4-methylphenyl)-8-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-(thiophen-3-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | V029-9377 |
| Compound Name: | 3-(4-chlorophenyl)-1-(4-methylphenyl)-8-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-(thiophen-3-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 591.19 |
| Molecular Formula: | C31 H31 Cl N4 O2 S2 |
| Salt: | not_available |
| Smiles: | CC1CCN(CC1)C(CN1C(CSC(c2ccsc2)c2c(c3ccc(cc3)[Cl])nn(c3ccc(C)cc3)c12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.6126 |
| logD: | 6.6126 |
| logSw: | -6.4235 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.436 |
| InChI Key: | OEGOVYTYEMDBQH-PMERELPUSA-N |