2-[1-(4-methoxyphenyl)-7-oxo-3-phenyl-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-[1-(4-methoxyphenyl)-7-oxo-3-phenyl-4-(thiophen-3-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methylpropyl)acetamide
2-[1-(4-methoxyphenyl)-7-oxo-3-phenyl-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: | V020-6130 |
| Compound Name: | 2-[1-(4-methoxyphenyl)-7-oxo-3-phenyl-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: | 546.71 |
| Molecular Formula: | C29 H30 N4 O3 S2 |
| Smiles: | CC(C)CNC(CN1C(CSC(c2ccsc2)c2c(c3ccccc3)nn(c3ccc(cc3)OC)c12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.281 |
| logD: | 5.281 |
| logSw: | -5.1991 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.33 |
| InChI Key: | TZZYQTNUIZKPJT-NDEPHWFRSA-N |