2-[1-(4-methoxyphenyl)-4-(2-methylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(propan-2-yl)acetamide
Chemical Structure Depiction of
2-[1-(4-methoxyphenyl)-4-(2-methylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(propan-2-yl)acetamide
2-[1-(4-methoxyphenyl)-4-(2-methylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(propan-2-yl)acetamide
Compound characteristics
| Compound ID: | V010-4628 |
| Compound Name: | 2-[1-(4-methoxyphenyl)-4-(2-methylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(propan-2-yl)acetamide |
| Molecular Weight: | 540.68 |
| Molecular Formula: | C31 H32 N4 O3 S |
| Smiles: | CC(C)NC(CN1C(CSC(c2ccccc2C)c2c(c3ccccc3)nn(c3ccc(cc3)OC)c12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5944 |
| logD: | 5.5944 |
| logSw: | -5.4447 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.286 |
| InChI Key: | YYVIIVOYYWZFSV-SSEXGKCCSA-N |