1-(2,3-dimethylphenyl)-4-(3-methylphenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
1-(2,3-dimethylphenyl)-4-(3-methylphenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
1-(2,3-dimethylphenyl)-4-(3-methylphenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | V021-2901 |
| Compound Name: | 1-(2,3-dimethylphenyl)-4-(3-methylphenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 550.72 |
| Molecular Formula: | C33 H34 N4 O2 S |
| Smiles: | Cc1cccc(c1)C1c2c(c3ccccc3)nn(c3cccc(C)c3C)c2N(CC(N2CCCC2)=O)C(CS1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.7034 |
| logD: | 6.7034 |
| logSw: | -5.6309 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.482 |
| InChI Key: | MBGCKFMHJVWBNR-JGCGQSQUSA-N |