2-[3-tert-butyl-1-(2-methylphenyl)-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-methylphenyl)-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-methylphenyl)-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: | V015-2808 |
| Compound Name: | 2-[3-tert-butyl-1-(2-methylphenyl)-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: | 494.68 |
| Molecular Formula: | C26 H30 N4 O2 S2 |
| Smiles: | Cc1ccccc1n1c2c(C(c3cccs3)SCC(N2CC(NC2CC2)=O)=O)c(C(C)(C)C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9902 |
| logD: | 4.9902 |
| logSw: | -4.5017 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.542 |
| InChI Key: | RBDSEPVINPRDFW-QHCPKHFHSA-N |