ethyl 2-{2-[(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{2-[(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | D365-0123 |
| Compound Name: | ethyl 2-{2-[(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 433.55 |
| Molecular Formula: | C20 H23 N3 O4 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(CSC1NC(C2CCCC=2N=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7393 |
| logD: | 0.9085 |
| logSw: | -3.0009 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.456 |
| InChI Key: | BWFMVCKCAHCJAS-UHFFFAOYSA-N |