2-[3-tert-butyl-1-(2,4-dimethylphenyl)-7-oxo-4-(thiophen-3-yl)-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-1-(2,4-dimethylphenyl)-7-oxo-4-(thiophen-3-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methylpropyl)acetamide
2-[3-tert-butyl-1-(2,4-dimethylphenyl)-7-oxo-4-(thiophen-3-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methylpropyl)acetamide
Compound characteristics
| Compound ID: | V027-8479 |
| Compound Name: | 2-[3-tert-butyl-1-(2,4-dimethylphenyl)-7-oxo-4-(thiophen-3-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methylpropyl)acetamide |
| Molecular Weight: | 524.75 |
| Molecular Formula: | C28 H36 N4 O2 S2 |
| Salt: | not_available |
| Smiles: | CC(C)CNC(CN1C(CSC(c2ccsc2)c2c(C(C)(C)C)nn(c3ccc(C)cc3C)c12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.391 |
| logD: | 6.391 |
| logSw: | -5.5237 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.757 |
| InChI Key: | YGSMMBVSWVZSFX-VWLOTQADSA-N |