ethyl 3-({2-[(3-benzyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamido}methyl)-4-methylbenzoate
Chemical Structure Depiction of
ethyl 3-({2-[(3-benzyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamido}methyl)-4-methylbenzoate
ethyl 3-({2-[(3-benzyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamido}methyl)-4-methylbenzoate
Compound characteristics
| Compound ID: | 8018-3478 |
| Compound Name: | ethyl 3-({2-[(3-benzyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamido}methyl)-4-methylbenzoate |
| Molecular Weight: | 561.72 |
| Molecular Formula: | C30 H31 N3 O4 S2 |
| Smiles: | CCOC(c1ccc(C)c(CNC(CSC2=Nc3c(C(N2Cc2ccccc2)=O)c2CCCCc2s3)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.7694 |
| logD: | 6.7694 |
| logSw: | -5.6266 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.819 |
| InChI Key: | JAOYZWRLLQVBQZ-UHFFFAOYSA-N |