2-[3-tert-butyl-4-(2-methoxyphenyl)-1-methyl-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methylpropyl)acetamide
Chemical Structure Depiction of
2-[3-tert-butyl-4-(2-methoxyphenyl)-1-methyl-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methylpropyl)acetamide
2-[3-tert-butyl-4-(2-methoxyphenyl)-1-methyl-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methylpropyl)acetamide
Compound characteristics
| Compound ID: | V021-0475 |
| Compound Name: | 2-[3-tert-butyl-4-(2-methoxyphenyl)-1-methyl-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methylpropyl)acetamide |
| Molecular Weight: | 458.62 |
| Molecular Formula: | C24 H34 N4 O3 S |
| Salt: | not_available |
| Smiles: | CC(C)CNC(CN1C(CSC(c2ccccc2OC)c2c(C(C)(C)C)nn(C)c12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9484 |
| logD: | 3.9484 |
| logSw: | -4.0998 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.091 |
| InChI Key: | FLWDGNNHRJPREB-OAQYLSRUSA-N |