ethyl 2-{2-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{2-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 5400-0986 |
| Compound Name: | ethyl 2-{2-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 502.68 |
| Molecular Formula: | C23 H26 N4 O3 S3 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(CSc1nc(c2c3CCCCc3sc2n1)N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3323 |
| logD: | 3.3077 |
| logSw: | -5.2518 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.6 |
| InChI Key: | ICUHWBBSYXLEDQ-UHFFFAOYSA-N |