3-tert-butyl-4-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-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-(4-methoxyphenyl)-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-(4-methoxyphenyl)-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: | V002-4946 |
| Compound Name: | 3-tert-butyl-4-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 594.73 |
| Molecular Formula: | C31 H38 N4 O6 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1c2C(c3ccc(c(c3)OC)OC)SCC(N(CC(N3CCOCC3)=O)c2n(c2ccc(cc2)OC)n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9682 |
| logD: | 3.9682 |
| logSw: | -4.1103 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 77.402 |
| InChI Key: | PTFWCXYOPJFUAC-MUUNZHRXSA-N |