2-[3-tert-butyl-1-(2-chlorophenyl)-7-oxo-4-(thiophen-3-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide
Chemical Structure Depiction of
2-[3-tert-butyl-1-(2-chlorophenyl)-7-oxo-4-(thiophen-3-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide
2-[3-tert-butyl-1-(2-chlorophenyl)-7-oxo-4-(thiophen-3-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide
Compound characteristics
| Compound ID: | V007-6280 |
| Compound Name: | 2-[3-tert-butyl-1-(2-chlorophenyl)-7-oxo-4-(thiophen-3-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide |
| Molecular Weight: | 533.11 |
| Molecular Formula: | C25 H29 Cl N4 O3 S2 |
| Smiles: | CC(C)(C)c1c2C(c3ccsc3)SCC(N(CC(NCCOC)=O)c2n(c2ccccc2[Cl])n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5513 |
| logD: | 4.5513 |
| logSw: | -4.4667 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.941 |
| InChI Key: | LAIXRRQNENCJIG-QFIPXVFZSA-N |