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]-N-propylacetamide
Chemical Structure Depiction of
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]-N-propylacetamide
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]-N-propylacetamide
Compound characteristics
| Compound ID: | V020-3962 |
| Compound Name: | 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]-N-propylacetamide |
| Molecular Weight: | 544.65 |
| Molecular Formula: | C30 H29 F N4 O3 S |
| Smiles: | CCCNC(CN1C(CSC(c2ccc(cc2)F)c2c(c3ccccc3)nn(c3ccc(cc3)OC)c12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2295 |
| logD: | 5.2295 |
| logSw: | -5.0637 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.153 |
| InChI Key: | DVVBAPBBDZGKAE-GDLZYMKVSA-N |