2-[3-tert-butyl-1-(3-chlorophenyl)-4-(3-fluorophenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(3-methoxypropyl)acetamide
Chemical Structure Depiction of
2-[3-tert-butyl-1-(3-chlorophenyl)-4-(3-fluorophenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(3-methoxypropyl)acetamide
2-[3-tert-butyl-1-(3-chlorophenyl)-4-(3-fluorophenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(3-methoxypropyl)acetamide
Compound characteristics
| Compound ID: | V004-6138 |
| Compound Name: | 2-[3-tert-butyl-1-(3-chlorophenyl)-4-(3-fluorophenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(3-methoxypropyl)acetamide |
| Molecular Weight: | 559.1 |
| Molecular Formula: | C28 H32 Cl F N4 O3 S |
| Smiles: | CC(C)(C)c1c2C(c3cccc(c3)F)SCC(N(CC(NCCCOC)=O)c2n(c2cccc(c2)[Cl])n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3853 |
| logD: | 5.3853 |
| logSw: | -5.8481 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.223 |
| InChI Key: | LJWHMGSEICNGIT-RUZDIDTESA-N |