4-(2-chlorophenyl)-1-(4-methylphenyl)-8-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
4-(2-chlorophenyl)-1-(4-methylphenyl)-8-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-(2-chlorophenyl)-1-(4-methylphenyl)-8-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | V011-8296 |
| Compound Name: | 4-(2-chlorophenyl)-1-(4-methylphenyl)-8-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 585.17 |
| Molecular Formula: | C33 H33 Cl N4 O2 S |
| Smiles: | CC1CCN(CC1)C(CN1C(CSC(c2ccccc2[Cl])c2c(c3ccccc3)nn(c3ccc(C)cc3)c12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.7778 |
| logD: | 6.7778 |
| logSw: | -6.2103 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.417 |
| InChI Key: | ZPMPIQHIFVJZCH-JGCGQSQUSA-N |