2-[3-tert-butyl-1-(2,3-dimethylphenyl)-7-oxo-4-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-cyclopropylacetamide
Chemical Structure Depiction of
2-[3-tert-butyl-1-(2,3-dimethylphenyl)-7-oxo-4-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-cyclopropylacetamide
2-[3-tert-butyl-1-(2,3-dimethylphenyl)-7-oxo-4-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-cyclopropylacetamide
Compound characteristics
| Compound ID: | V015-2040 |
| Compound Name: | 2-[3-tert-butyl-1-(2,3-dimethylphenyl)-7-oxo-4-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-cyclopropylacetamide |
| Molecular Weight: | 508.7 |
| Molecular Formula: | C27 H32 N4 O2 S2 |
| Smiles: | Cc1cccc(c1C)n1c2c(C(c3cccs3)SCC(N2CC(NC2CC2)=O)=O)c(C(C)(C)C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5002 |
| logD: | 5.5002 |
| logSw: | -5.3151 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.542 |
| InChI Key: | WLRWZKNWFUZIFK-DEOSSOPVSA-N |