methyl 2-[(7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)sulfanyl]propanoate
Chemical Structure Depiction of
methyl 2-[(7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)sulfanyl]propanoate
methyl 2-[(7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)sulfanyl]propanoate
Compound characteristics
| Compound ID: | 4789-3976 |
| Compound Name: | methyl 2-[(7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)sulfanyl]propanoate |
| Molecular Weight: | 322.45 |
| Molecular Formula: | C15 H18 N2 O2 S2 |
| Smiles: | CC1CCc2c3c(ncnc3sc2C1)SC(C)C(=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2257 |
| logD: | 4.2257 |
| logSw: | -4.3823 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.379 |
| InChI Key: | AWGVRQATGCLPEP-UHFFFAOYSA-N |