4-(2,5-dimethoxyphenyl)-1-methyl-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-(2,5-dimethoxyphenyl)-1-methyl-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-(2,5-dimethoxyphenyl)-1-methyl-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: | V007-6454 |
| Compound Name: | 4-(2,5-dimethoxyphenyl)-1-methyl-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: | 534.68 |
| Molecular Formula: | C29 H34 N4 O4 S |
| Salt: | not_available |
| Smiles: | CC1CCN(CC1)C(CN1C(CSC(c2cc(ccc2OC)OC)c2c(c3ccccc3)nn(C)c12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1958 |
| logD: | 4.1958 |
| logSw: | -4.2858 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.013 |
| InChI Key: | ABNPFSIPHVNJLW-MUUNZHRXSA-N |