2-[3-tert-butyl-1-(4-methylphenyl)-7-oxo-4-(thiophen-2-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-(4-methylphenyl)-7-oxo-4-(thiophen-2-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-(4-methylphenyl)-7-oxo-4-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methylpropyl)acetamide
Compound characteristics
| Compound ID: | V010-4650 |
| Compound Name: | 2-[3-tert-butyl-1-(4-methylphenyl)-7-oxo-4-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methylpropyl)acetamide |
| Molecular Weight: | 510.72 |
| Molecular Formula: | C27 H34 N4 O2 S2 |
| Smiles: | CC(C)CNC(CN1C(CSC(c2c(C(C)(C)C)nn(c3ccc(C)cc3)c12)c1cccs1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6263 |
| logD: | 5.6263 |
| logSw: | -5.3129 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.058 |
| InChI Key: | RYIWFUSZIDXJOY-DEOSSOPVSA-N |