methyl 2-{2-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamido}benzoate
methyl 2-{2-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | 5400-0907 |
| Compound Name: | methyl 2-{2-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 428.53 |
| Molecular Formula: | C20 H20 N4 O3 S2 |
| Smiles: | COC(c1ccccc1NC(CSc1nc(c2c3CCCCc3sc2n1)N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9651 |
| logD: | 3.9521 |
| logSw: | -4.4045 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.607 |
| InChI Key: | XCUFSBYWVHMMML-UHFFFAOYSA-N |