2-[3-tert-butyl-1-(2-chlorophenyl)-4-(3-fluorophenyl)-7-oxo-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-[3-tert-butyl-1-(2-chlorophenyl)-4-(3-fluorophenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[2-(dimethylamino)ethyl]acetamide
2-[3-tert-butyl-1-(2-chlorophenyl)-4-(3-fluorophenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[2-(dimethylamino)ethyl]acetamide
Compound characteristics
| Compound ID: | V020-7739 |
| Compound Name: | 2-[3-tert-butyl-1-(2-chlorophenyl)-4-(3-fluorophenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[2-(dimethylamino)ethyl]acetamide |
| Molecular Weight: | 558.12 |
| Molecular Formula: | C28 H33 Cl F N5 O2 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1c2C(c3cccc(c3)F)SCC(N(CC(NCCN(C)C)=O)c2n(c2ccccc2[Cl])n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8107 |
| logD: | 3.476 |
| logSw: | -4.8778 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.446 |
| InChI Key: | CCUSDMBTUKSOMN-RUZDIDTESA-N |