2-[1,3-di-tert-butyl-4-(2-methoxyphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide
Chemical Structure Depiction of
2-[1,3-di-tert-butyl-4-(2-methoxyphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide
2-[1,3-di-tert-butyl-4-(2-methoxyphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide
Compound characteristics
| Compound ID: | V020-3228 |
| Compound Name: | 2-[1,3-di-tert-butyl-4-(2-methoxyphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide |
| Molecular Weight: | 552.71 |
| Molecular Formula: | C30 H37 F N4 O3 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1c2C(c3ccccc3OC)SCC(N(CC(NCc3ccc(cc3)F)=O)c2n(C(C)(C)C)n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6965 |
| logD: | 5.6965 |
| logSw: | -5.457 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.365 |
| InChI Key: | VFPSWCBNXBAXHX-AREMUKBSSA-N |