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-(2-methoxyethyl)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-(2-methoxyethyl)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-(2-methoxyethyl)acetamide
Compound characteristics
| Compound ID: | V023-4042 |
| 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-(2-methoxyethyl)acetamide |
| Molecular Weight: | 606.76 |
| Molecular Formula: | C31 H34 N4 O5 S2 |
| Smiles: | Cc1cccc(c1C)n1c2c(C(c3cccs3)SCC(N2CC(NCCOC)=O)=O)c(c2c(cccc2OC)OC)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4523 |
| logD: | 4.4523 |
| logSw: | -4.4645 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.93 |
| InChI Key: | SELNFUHMPJNFRV-PMERELPUSA-N |