2-[1,3-di-tert-butyl-4-(3-fluorophenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-4-yl)methyl]acetamide
Chemical Structure Depiction of
2-[1,3-di-tert-butyl-4-(3-fluorophenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-4-yl)methyl]acetamide
2-[1,3-di-tert-butyl-4-(3-fluorophenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-4-yl)methyl]acetamide
Compound characteristics
| Compound ID: | V008-1907 |
| Compound Name: | 2-[1,3-di-tert-butyl-4-(3-fluorophenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-4-yl)methyl]acetamide |
| Molecular Weight: | 523.67 |
| Molecular Formula: | C28 H34 F N5 O2 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1c2C(c3cccc(c3)F)SCC(N(CC(NCc3ccncc3)=O)c2n(C(C)(C)C)n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3082 |
| logD: | 4.3048 |
| logSw: | -4.2052 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.163 |
| InChI Key: | INVPSUPCDRYPSL-XMMPIXPASA-N |