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
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
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: | V002-4921 |
| 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]acetamide |
| Molecular Weight: | 502.57 |
| Molecular Formula: | C27 H23 F N4 O3 S |
| Smiles: | COc1ccc(cc1)n1c2c(C(c3ccc(cc3)F)SCC(N2CC(N)=O)=O)c(c2ccccc2)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.229 |
| logD: | 4.229 |
| logSw: | -4.4075 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.228 |
| InChI Key: | AIXCCCTWNSSMMB-AREMUKBSSA-N |