2-[3-tert-butyl-1-methyl-4-(3-methylphenyl)-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-methyl-4-(3-methylphenyl)-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-methyl-4-(3-methylphenyl)-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: | V030-0820 |
| Compound Name: | 2-[3-tert-butyl-1-methyl-4-(3-methylphenyl)-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: | 477.63 |
| Molecular Formula: | C26 H31 N5 O2 S |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1)C1c2c(C(C)(C)C)nn(C)c2N(CC(NCc2ccccn2)=O)C(CS1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9977 |
| logD: | 3.9968 |
| logSw: | -4.0922 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.732 |
| InChI Key: | HUHUEUDACSBEDH-HSZRJFAPSA-N |