2-[3-tert-butyl-1-(2,4-dimethylphenyl)-7-oxo-4-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[2-(dimethylamino)ethyl]acetamide
Chemical Structure Depiction of
2-[3-tert-butyl-1-(2,4-dimethylphenyl)-7-oxo-4-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[2-(dimethylamino)ethyl]acetamide
2-[3-tert-butyl-1-(2,4-dimethylphenyl)-7-oxo-4-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[2-(dimethylamino)ethyl]acetamide
Compound characteristics
| Compound ID: | V004-6411 |
| Compound Name: | 2-[3-tert-butyl-1-(2,4-dimethylphenyl)-7-oxo-4-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[2-(dimethylamino)ethyl]acetamide |
| Molecular Weight: | 539.76 |
| Molecular Formula: | C28 H37 N5 O2 S2 |
| Salt: | not_available |
| Smiles: | Cc1ccc(c(C)c1)n1c2c(C(c3cccs3)SCC(N2CC(NCCN(C)C)=O)=O)c(C(C)(C)C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9897 |
| logD: | 3.655 |
| logSw: | -4.532 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.464 |
| InChI Key: | NPUROHPBKGIZNH-VWLOTQADSA-N |