2-[3-tert-butyl-4-(4-fluorophenyl)-1-(4-methoxyphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide
Chemical Structure Depiction of
2-[3-tert-butyl-4-(4-fluorophenyl)-1-(4-methoxyphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide
2-[3-tert-butyl-4-(4-fluorophenyl)-1-(4-methoxyphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide
Compound characteristics
| Compound ID: | V027-3505 |
| Compound Name: | 2-[3-tert-butyl-4-(4-fluorophenyl)-1-(4-methoxyphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide |
| Molecular Weight: | 482.58 |
| Molecular Formula: | C25 H27 F N4 O3 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1c2C(c3ccc(cc3)F)SCC(N(CC(N)=O)c2n(c2ccc(cc2)OC)n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2214 |
| logD: | 4.2214 |
| logSw: | -4.4107 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.499 |
| InChI Key: | SXRWBMSFKLDXER-JOCHJYFZSA-N |