3-tert-butyl-4-(3-chlorophenyl)-1-methyl-8-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
3-tert-butyl-4-(3-chlorophenyl)-1-methyl-8-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
3-tert-butyl-4-(3-chlorophenyl)-1-methyl-8-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | V027-3467 |
| Compound Name: | 3-tert-butyl-4-(3-chlorophenyl)-1-methyl-8-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 489.08 |
| Molecular Formula: | C25 H33 Cl N4 O2 S |
| Salt: | not_available |
| Smiles: | CC1CCN(CC1)C(CN1C(CSC(c2cccc(c2)[Cl])c2c(C(C)(C)C)nn(C)c12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6534 |
| logD: | 4.6534 |
| logSw: | -4.7789 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.11 |
| InChI Key: | GQAXSDLSVAYIIV-JOCHJYFZSA-N |