2-[1-(2,3-dimethylphenyl)-7-oxo-3-phenyl-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-[1-(2,3-dimethylphenyl)-7-oxo-3-phenyl-4-(thiophen-3-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methylpropyl)acetamide
2-[1-(2,3-dimethylphenyl)-7-oxo-3-phenyl-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: | V010-4670 |
| Compound Name: | 2-[1-(2,3-dimethylphenyl)-7-oxo-3-phenyl-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: | 544.74 |
| Molecular Formula: | C30 H32 N4 O2 S2 |
| Smiles: | CC(C)CNC(CN1C(CSC(c2ccsc2)c2c(c3ccccc3)nn(c3cccc(C)c3C)c12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1934 |
| logD: | 6.1934 |
| logSw: | -5.5966 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.485 |
| InChI Key: | ACHGMIGQDQNKBN-LJAQVGFWSA-N |