1-(4-methylphenyl)-8-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-(3-methylthiophen-2-yl)-3-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
1-(4-methylphenyl)-8-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-(3-methylthiophen-2-yl)-3-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
1-(4-methylphenyl)-8-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-(3-methylthiophen-2-yl)-3-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | V007-9102 |
| Compound Name: | 1-(4-methylphenyl)-8-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-(3-methylthiophen-2-yl)-3-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 570.78 |
| Molecular Formula: | C32 H34 N4 O2 S2 |
| Smiles: | CC1CCN(CC1)C(CN1C(CSC(c2c(c3ccccc3)nn(c3ccc(C)cc3)c12)c1c(C)ccs1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3941 |
| logD: | 6.3941 |
| logSw: | -5.6666 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.436 |
| InChI Key: | RWCGFPQMMKUYRQ-HKBQPEDESA-N |