2-[3-tert-butyl-4-(3,4-dimethoxyphenyl)-1-methyl-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[2-(dimethylamino)ethyl]acetamide
Chemical Structure Depiction of
2-[3-tert-butyl-4-(3,4-dimethoxyphenyl)-1-methyl-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[2-(dimethylamino)ethyl]acetamide
2-[3-tert-butyl-4-(3,4-dimethoxyphenyl)-1-methyl-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[2-(dimethylamino)ethyl]acetamide
Compound characteristics
| Compound ID: | V008-1919 |
| Compound Name: | 2-[3-tert-butyl-4-(3,4-dimethoxyphenyl)-1-methyl-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[2-(dimethylamino)ethyl]acetamide |
| Molecular Weight: | 503.66 |
| Molecular Formula: | C25 H37 N5 O4 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1c2C(c3ccc(c(c3)OC)OC)SCC(N(CC(NCCN(C)C)=O)c2n(C)n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.209 |
| logD: | 0.8743 |
| logSw: | -2.8858 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.429 |
| InChI Key: | YPLNLARYKFFESF-JOCHJYFZSA-N |