methyl 4-{[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}benzoate
methyl 4-{[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}benzoate
Compound characteristics
| Compound ID: | 4236-0427 |
| Compound Name: | methyl 4-{[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}benzoate |
| Molecular Weight: | 385.51 |
| Molecular Formula: | C19 H19 N3 O2 S2 |
| Smiles: | COC(c1ccc(CSc2nc(c3c4CCCCc4sc3n2)N)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6558 |
| logD: | 4.6556 |
| logSw: | -4.8051 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.156 |
| InChI Key: | YBGACINAOSJNQY-UHFFFAOYSA-N |