1-tert-butyl-4-(2,5-dimethoxyphenyl)-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-tert-butyl-4-(2,5-dimethoxyphenyl)-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-tert-butyl-4-(2,5-dimethoxyphenyl)-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: | V006-9872 |
| Compound Name: | 1-tert-butyl-4-(2,5-dimethoxyphenyl)-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: | 576.76 |
| Molecular Formula: | C32 H40 N4 O4 S |
| Smiles: | CC1CCN(CC1)C(CN1C(CSC(c2cc(ccc2OC)OC)c2c(c3ccccc3)nn(c12)C(C)(C)C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4051 |
| logD: | 5.4051 |
| logSw: | -5.414 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.558 |
| InChI Key: | CWVVEBZFHYVANK-SSEXGKCCSA-N |