4-(2H-1,3-benzodioxol-5-yl)-1-(2,3-dimethylphenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-3-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
4-(2H-1,3-benzodioxol-5-yl)-1-(2,3-dimethylphenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-3-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-(2H-1,3-benzodioxol-5-yl)-1-(2,3-dimethylphenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-3-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | V008-1976 |
| Compound Name: | 4-(2H-1,3-benzodioxol-5-yl)-1-(2,3-dimethylphenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-3-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 596.71 |
| Molecular Formula: | C33 H32 N4 O5 S |
| Smiles: | Cc1cccc(c1C)n1c2c(C(c3ccc4c(c3)OCO4)SCC(N2CC(N2CCOCC2)=O)=O)c(c2ccccc2)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1864 |
| logD: | 5.1864 |
| logSw: | -5.0903 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.14 |
| InChI Key: | ZWFMMODSRDXKMS-JGCGQSQUSA-N |