2-[3-(2,6-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-7-oxo-4-(thiophen-3-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(oxolan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-[3-(2,6-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-7-oxo-4-(thiophen-3-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(oxolan-2-yl)methyl]acetamide
2-[3-(2,6-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-7-oxo-4-(thiophen-3-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(oxolan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | V005-9258 |
| Compound Name: | 2-[3-(2,6-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-7-oxo-4-(thiophen-3-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(oxolan-2-yl)methyl]acetamide |
| Molecular Weight: | 632.8 |
| Molecular Formula: | C33 H36 N4 O5 S2 |
| Smiles: | Cc1cccc(c1C)n1c2c(C(c3ccsc3)SCC(N2CC(NCC2CCCO2)=O)=O)c(c2c(cccc2OC)OC)n1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6618 |
| logD: | 4.6618 |
| logSw: | -4.5183 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.129 |
| InChI Key: | CDRPYGZJFFWRSV-UHFFFAOYSA-N |