2-[3-tert-butyl-4-(2,5-dimethoxyphenyl)-1-methyl-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(furan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-[3-tert-butyl-4-(2,5-dimethoxyphenyl)-1-methyl-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(furan-2-yl)methyl]acetamide
2-[3-tert-butyl-4-(2,5-dimethoxyphenyl)-1-methyl-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(furan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | V030-0805 |
| Compound Name: | 2-[3-tert-butyl-4-(2,5-dimethoxyphenyl)-1-methyl-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(furan-2-yl)methyl]acetamide |
| Molecular Weight: | 512.63 |
| Molecular Formula: | C26 H32 N4 O5 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1c2C(c3cc(ccc3OC)OC)SCC(N(CC(NCc3ccco3)=O)c2n(C)n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2579 |
| logD: | 4.2579 |
| logSw: | -4.3814 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.112 |
| InChI Key: | YUGJURLGWLBOBD-HSZRJFAPSA-N |