N-(butan-2-yl)-2-[4-(4-fluorophenyl)-1-(4-methoxyphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide
Chemical Structure Depiction of
N-(butan-2-yl)-2-[4-(4-fluorophenyl)-1-(4-methoxyphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide
N-(butan-2-yl)-2-[4-(4-fluorophenyl)-1-(4-methoxyphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide
Compound characteristics
| Compound ID: | V005-6025 |
| Compound Name: | N-(butan-2-yl)-2-[4-(4-fluorophenyl)-1-(4-methoxyphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide |
| Molecular Weight: | 558.68 |
| Molecular Formula: | C31 H31 F N4 O3 S |
| Smiles: | CCC(C)NC(CN1C(CSC(c2ccc(cc2)F)c2c(c3ccccc3)nn(c3ccc(cc3)OC)c12)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.635 |
| logD: | 5.635 |
| logSw: | -5.4491 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.753 |
| InChI Key: | JGHCLHVHXGTPPZ-UHFFFAOYSA-N |