2-[3-tert-butyl-1-(3-chlorophenyl)-7-oxo-4-(thiophen-3-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methylpropyl)acetamide
Chemical Structure Depiction of
2-[3-tert-butyl-1-(3-chlorophenyl)-7-oxo-4-(thiophen-3-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methylpropyl)acetamide
2-[3-tert-butyl-1-(3-chlorophenyl)-7-oxo-4-(thiophen-3-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methylpropyl)acetamide
Compound characteristics
| Compound ID: | V001-3860 |
| Compound Name: | 2-[3-tert-butyl-1-(3-chlorophenyl)-7-oxo-4-(thiophen-3-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methylpropyl)acetamide |
| Molecular Weight: | 531.14 |
| Molecular Formula: | C26 H31 Cl N4 O2 S2 |
| Smiles: | CC(C)CNC(CN1C(CSC(c2ccsc2)c2c(C(C)(C)C)nn(c3cccc(c3)[Cl])c12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9255 |
| logD: | 5.9255 |
| logSw: | -6.0927 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.058 |
| InChI Key: | GFGZYEOFCVGVJR-QHCPKHFHSA-N |