4-(3-chlorophenyl)-1-(2-methylphenyl)-8-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-(thiophen-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
4-(3-chlorophenyl)-1-(2-methylphenyl)-8-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-(thiophen-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-(3-chlorophenyl)-1-(2-methylphenyl)-8-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-(thiophen-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | V010-8713 |
| Compound Name: | 4-(3-chlorophenyl)-1-(2-methylphenyl)-8-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-(thiophen-2-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 |
| Smiles: | CC1CCN(CC1)C(CN1C(CSC(c2cccc(c2)[Cl])c2c(c3cccs3)nn(c3ccccc3C)c12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.8619 |
| logD: | 6.8619 |
| logSw: | -6.1783 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.135 |
| InChI Key: | GPISFOWVJCVZAX-SSEXGKCCSA-N |