methyl 2-{[4-(azepan-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[4-(azepan-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino}benzoate
methyl 2-{[4-(azepan-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | G895-0336 |
| Compound Name: | methyl 2-{[4-(azepan-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino}benzoate |
| Molecular Weight: | 424.52 |
| Molecular Formula: | C22 H24 N4 O3 S |
| Smiles: | Cc1c2c(ncnc2sc1C(Nc1ccccc1C(=O)OC)=O)N1CCCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 4.9914 |
| logD: | 4.2644 |
| logSw: | -4.7493 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.437 |
| InChI Key: | SVENZMPQZAPYTG-UHFFFAOYSA-N |