methyl [4-(4-methylanilino)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]acetate
Chemical Structure Depiction of
methyl [4-(4-methylanilino)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]acetate
methyl [4-(4-methylanilino)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]acetate
Compound characteristics
| Compound ID: | K810-0388 |
| Compound Name: | methyl [4-(4-methylanilino)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]acetate |
| Molecular Weight: | 367.47 |
| Molecular Formula: | C20 H21 N3 O2 S |
| Smiles: | Cc1ccc(cc1)Nc1c2c3CCCCc3sc2nc(CC(=O)OC)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.0434 |
| logD: | 5.0429 |
| logSw: | -4.8362 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.957 |
| InChI Key: | CCBUWLKSSRMAOX-UHFFFAOYSA-N |