N-[2-(dimethylamino)ethyl]-2-[1-(4-fluorophenyl)-4-(2-methylphenyl)-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-[2-(dimethylamino)ethyl]-2-[1-(4-fluorophenyl)-4-(2-methylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide
N-[2-(dimethylamino)ethyl]-2-[1-(4-fluorophenyl)-4-(2-methylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide
Compound characteristics
| Compound ID: | V020-2035 |
| Compound Name: | N-[2-(dimethylamino)ethyl]-2-[1-(4-fluorophenyl)-4-(2-methylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide |
| Molecular Weight: | 557.69 |
| Molecular Formula: | C31 H32 F N5 O2 S |
| Salt: | not_available |
| Smiles: | Cc1ccccc1C1c2c(c3ccccc3)nn(c3ccc(cc3)F)c2N(CC(NCCN(C)C)=O)C(CS1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7331 |
| logD: | 3.3984 |
| logSw: | -4.3591 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.475 |
| InChI Key: | BXWPTUVVDWRRNJ-SSEXGKCCSA-N |