2-[3-tert-butyl-1-(2-methylphenyl)-4-(3-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(3-methoxypropyl)acetamide
Chemical Structure Depiction of
2-[3-tert-butyl-1-(2-methylphenyl)-4-(3-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(3-methoxypropyl)acetamide
2-[3-tert-butyl-1-(2-methylphenyl)-4-(3-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(3-methoxypropyl)acetamide
Compound characteristics
| Compound ID: | V018-0832 |
| Compound Name: | 2-[3-tert-butyl-1-(2-methylphenyl)-4-(3-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(3-methoxypropyl)acetamide |
| Molecular Weight: | 534.72 |
| Molecular Formula: | C30 H38 N4 O3 S |
| Smiles: | Cc1cccc(c1)C1c2c(C(C)(C)C)nn(c3ccccc3C)c2N(CC(NCCCOC)=O)C(CS1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5876 |
| logD: | 5.5876 |
| logSw: | -5.3006 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.922 |
| InChI Key: | DRPGNAPZBYYAEG-HHHXNRCGSA-N |