3-tert-butyl-4-(2,5-dimethoxyphenyl)-1-(3-methylphenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
3-tert-butyl-4-(2,5-dimethoxyphenyl)-1-(3-methylphenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
3-tert-butyl-4-(2,5-dimethoxyphenyl)-1-(3-methylphenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | V027-3529 |
| Compound Name: | 3-tert-butyl-4-(2,5-dimethoxyphenyl)-1-(3-methylphenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 562.73 |
| Molecular Formula: | C31 H38 N4 O4 S |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1)n1c2c(C(c3cc(ccc3OC)OC)SCC(N2CC(N2CCCC2)=O)=O)c(C(C)(C)C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8941 |
| logD: | 5.8941 |
| logSw: | -5.3794 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.229 |
| InChI Key: | VDBWYFMRNORSEE-MUUNZHRXSA-N |