2-[3-tert-butyl-1-(2,3-dimethylphenyl)-4-(2-methoxyphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-[3-tert-butyl-1-(2,3-dimethylphenyl)-4-(2-methoxyphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-2-yl)methyl]acetamide
2-[3-tert-butyl-1-(2,3-dimethylphenyl)-4-(2-methoxyphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | V021-2939 |
| Compound Name: | 2-[3-tert-butyl-1-(2,3-dimethylphenyl)-4-(2-methoxyphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-2-yl)methyl]acetamide |
| Molecular Weight: | 583.75 |
| Molecular Formula: | C33 H37 N5 O3 S |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1C)n1c2c(C(c3ccccc3OC)SCC(N2CC(NCc2ccccn2)=O)=O)c(C(C)(C)C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.205 |
| logD: | 6.204 |
| logSw: | -5.5738 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.64 |
| InChI Key: | VNUSTRKZCKJJND-SSEXGKCCSA-N |