2-[3-(2,6-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-7-oxo-4-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-[3-(2,6-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-7-oxo-4-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-2-yl)methyl]acetamide
2-[3-(2,6-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-7-oxo-4-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | V003-9249 |
| Compound Name: | 2-[3-(2,6-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-7-oxo-4-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-2-yl)methyl]acetamide |
| Molecular Weight: | 639.8 |
| Molecular Formula: | C34 H33 N5 O4 S2 |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1C)n1c2c(C(c3cccs3)SCC(N2CC(NCc2ccccn2)=O)=O)c(c2c(cccc2OC)OC)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2084 |
| logD: | 5.2075 |
| logSw: | -5.1503 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.018 |
| InChI Key: | NCAOUXLEWPQETP-XIFFEERXSA-N |