2-[4-(2,4-difluorophenyl)-1-(4-methoxyphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[2-(dimethylamino)ethyl]acetamide
Chemical Structure Depiction of
2-[4-(2,4-difluorophenyl)-1-(4-methoxyphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[2-(dimethylamino)ethyl]acetamide
2-[4-(2,4-difluorophenyl)-1-(4-methoxyphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[2-(dimethylamino)ethyl]acetamide
Compound characteristics
| Compound ID: | V020-3961 |
| Compound Name: | 2-[4-(2,4-difluorophenyl)-1-(4-methoxyphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[2-(dimethylamino)ethyl]acetamide |
| Molecular Weight: | 591.68 |
| Molecular Formula: | C31 H31 F2 N5 O3 S |
| Salt: | not_available |
| Smiles: | CN(C)CCNC(CN1C(CSC(c2ccc(cc2F)F)c2c(c3ccccc3)nn(c3ccc(cc3)OC)c12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5389 |
| logD: | 3.2042 |
| logSw: | -4.2303 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.019 |
| InChI Key: | ILLRNVJCKCZVTI-SSEXGKCCSA-N |