3-amino-N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide
Chemical Structure Depiction of
3-amino-N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide
3-amino-N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide
Compound characteristics
| Compound ID: | 8012-6534 |
| Compound Name: | 3-amino-N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide |
| Molecular Weight: | 522.65 |
| Molecular Formula: | C25 H26 N6 O3 S2 |
| Smiles: | Cc1cc(C)nc(NS(c2ccc(cc2)NC(c2c(c3cc4CCCCCc4nc3s2)N)=O)(=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.0736 |
| logD: | 3.5914 |
| logSw: | -4.2183 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 114.157 |
| InChI Key: | LQBXOXIMHZRTRV-UHFFFAOYSA-N |