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-methoxyethyl)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-methoxyethyl)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-methoxyethyl)acetamide
Compound characteristics
| Compound ID: | V013-5317 |
| 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-methoxyethyl)acetamide |
| Molecular Weight: | 546.71 |
| Molecular Formula: | C29 H30 N4 O3 S2 |
| Smiles: | Cc1cccc(c1C)n1c2c(C(c3ccsc3)SCC(N2CC(NCCOC)=O)=O)c(c2ccccc2)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0372 |
| logD: | 5.0372 |
| logSw: | -4.5338 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.669 |
| InChI Key: | XDZYUBJHKGVKQN-NDEPHWFRSA-N |