2-[3-tert-butyl-1-(2,3-dimethylphenyl)-4-(4-fluorophenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(3-methoxypropyl)acetamide
Chemical Structure Depiction of
2-[3-tert-butyl-1-(2,3-dimethylphenyl)-4-(4-fluorophenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(3-methoxypropyl)acetamide
2-[3-tert-butyl-1-(2,3-dimethylphenyl)-4-(4-fluorophenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(3-methoxypropyl)acetamide
Compound characteristics
| Compound ID: | V030-0803 |
| Compound Name: | 2-[3-tert-butyl-1-(2,3-dimethylphenyl)-4-(4-fluorophenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(3-methoxypropyl)acetamide |
| Molecular Weight: | 552.71 |
| Molecular Formula: | C30 H37 F N4 O3 S |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1C)n1c2c(C(c3ccc(cc3)F)SCC(N2CC(NCCCOC)=O)=O)c(C(C)(C)C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6008 |
| logD: | 5.6008 |
| logSw: | -5.2813 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.922 |
| InChI Key: | KVUDWJRKPSEFBG-HHHXNRCGSA-N |