1-(4-methoxyphenyl)-4-(3-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
1-(4-methoxyphenyl)-4-(3-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
1-(4-methoxyphenyl)-4-(3-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: | V030-7525 |
| Compound Name: | 1-(4-methoxyphenyl)-4-(3-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: | 580.75 |
| Molecular Formula: | C34 H36 N4 O3 S |
| Salt: | not_available |
| Smiles: | CC1CCN(CC1)C(CN1C(CSC(c2cccc(C)c2)c2c(c3ccccc3)nn(c3ccc(cc3)OC)c12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3404 |
| logD: | 6.3404 |
| logSw: | -5.5373 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.961 |
| InChI Key: | MYCXIEFUWJTVPS-MGBGTMOVSA-N |