3-tert-butyl-4-(3,4-dimethoxyphenyl)-1-(3-methylphenyl)-8-[2-(morpholin-4-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-(3,4-dimethoxyphenyl)-1-(3-methylphenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
3-tert-butyl-4-(3,4-dimethoxyphenyl)-1-(3-methylphenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | V006-9901 |
| Compound Name: | 3-tert-butyl-4-(3,4-dimethoxyphenyl)-1-(3-methylphenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 578.73 |
| Molecular Formula: | C31 H38 N4 O5 S |
| Smiles: | Cc1cccc(c1)n1c2c(C(c3ccc(c(c3)OC)OC)SCC(N2CC(N2CCOCC2)=O)=O)c(C(C)(C)C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4792 |
| logD: | 4.4792 |
| logSw: | -4.3512 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.858 |
| InChI Key: | CEMSRAABSHEOCH-MUUNZHRXSA-N |