2-[4-(2H-1,3-benzodioxol-5-yl)-1-(2-chlorophenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(3-methoxypropyl)acetamide
Chemical Structure Depiction of
2-[4-(2H-1,3-benzodioxol-5-yl)-1-(2-chlorophenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(3-methoxypropyl)acetamide
2-[4-(2H-1,3-benzodioxol-5-yl)-1-(2-chlorophenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(3-methoxypropyl)acetamide
Compound characteristics
| Compound ID: | V027-2744 |
| Compound Name: | 2-[4-(2H-1,3-benzodioxol-5-yl)-1-(2-chlorophenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(3-methoxypropyl)acetamide |
| Molecular Weight: | 605.11 |
| Molecular Formula: | C31 H29 Cl N4 O5 S |
| Salt: | not_available |
| Smiles: | COCCCNC(CN1C(CSC(c2ccc3c(c2)OCO3)c2c(c3ccccc3)nn(c3ccccc3[Cl])c12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0496 |
| logD: | 5.0496 |
| logSw: | -5.2966 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.766 |
| InChI Key: | CZZXTLWQVUNWCI-SSEXGKCCSA-N |