2-[3-tert-butyl-1-methyl-4-(3-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide
Chemical Structure Depiction of
2-[3-tert-butyl-1-methyl-4-(3-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide
2-[3-tert-butyl-1-methyl-4-(3-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide
Compound characteristics
| Compound ID: | V030-0808 |
| Compound Name: | 2-[3-tert-butyl-1-methyl-4-(3-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide |
| Molecular Weight: | 428.6 |
| Molecular Formula: | C23 H32 N4 O2 S |
| Smiles: | CCCNC(CN1C(CSC(c2cccc(C)c2)c2c(C(C)(C)C)nn(C)c12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9745 |
| logD: | 3.9745 |
| logSw: | -3.855 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.302 |
| InChI Key: | GVABOCIBXGVMGB-HXUWFJFHSA-N |