2-[4-(2,5-dimethoxyphenyl)-1-(2-methylphenyl)-7-oxo-3-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide
Chemical Structure Depiction of
2-[4-(2,5-dimethoxyphenyl)-1-(2-methylphenyl)-7-oxo-3-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide
2-[4-(2,5-dimethoxyphenyl)-1-(2-methylphenyl)-7-oxo-3-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide
Compound characteristics
| Compound ID: | V030-6135 |
| Compound Name: | 2-[4-(2,5-dimethoxyphenyl)-1-(2-methylphenyl)-7-oxo-3-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide |
| Molecular Weight: | 642.77 |
| Molecular Formula: | C34 H31 F N4 O4 S2 |
| Salt: | not_available |
| Smiles: | Cc1ccccc1n1c2c(C(c3cc(ccc3OC)OC)SCC(N2CC(NCc2ccc(cc2)F)=O)=O)c(c2cccs2)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.7448 |
| logD: | 6.7448 |
| logSw: | -5.6124 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.388 |
| InChI Key: | UBGKJMOYIRZKIH-MGBGTMOVSA-N |