2-[3-tert-butyl-1-(4-fluorophenyl)-7-oxo-4-(thiophen-2-yl)-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-(4-fluorophenyl)-7-oxo-4-(thiophen-2-yl)-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-(4-fluorophenyl)-7-oxo-4-(thiophen-2-yl)-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: | V012-8388 |
| Compound Name: | 2-[3-tert-butyl-1-(4-fluorophenyl)-7-oxo-4-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-2-yl)methyl]acetamide |
| Molecular Weight: | 549.69 |
| Molecular Formula: | C28 H28 F N5 O2 S2 |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1c2C(c3cccs3)SCC(N(CC(NCc3ccccn3)=O)c2n(c2ccc(cc2)F)n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.832 |
| logD: | 4.831 |
| logSw: | -4.4846 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.329 |
| InChI Key: | FRRTZAOXYRUTAF-VWLOTQADSA-N |