2-[3-(4-chlorophenyl)-4-(4-fluorophenyl)-1-(4-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide
Chemical Structure Depiction of
2-[3-(4-chlorophenyl)-4-(4-fluorophenyl)-1-(4-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide
2-[3-(4-chlorophenyl)-4-(4-fluorophenyl)-1-(4-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide
Compound characteristics
| Compound ID: | V009-3611 |
| Compound Name: | 2-[3-(4-chlorophenyl)-4-(4-fluorophenyl)-1-(4-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide |
| Molecular Weight: | 563.09 |
| Molecular Formula: | C30 H28 Cl F N4 O2 S |
| Smiles: | CCCNC(CN1C(CSC(c2ccc(cc2)F)c2c(c3ccc(cc3)[Cl])nn(c3ccc(C)cc3)c12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3703 |
| logD: | 6.3703 |
| logSw: | -6.4086 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.609 |
| InChI Key: | HJBXQGMIGHXDEP-GDLZYMKVSA-N |