propan-2-yl 2-{2-[(pyrimidin-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
propan-2-yl 2-{2-[(pyrimidin-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
propan-2-yl 2-{2-[(pyrimidin-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8010-8018 |
| Compound Name: | propan-2-yl 2-{2-[(pyrimidin-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 391.51 |
| Molecular Formula: | C18 H21 N3 O3 S2 |
| Smiles: | CC(C)OC(c1c2CCCCc2sc1NC(CSc1ncccn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4405 |
| logD: | 1.4159 |
| logSw: | -3.8882 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.421 |
| InChI Key: | DFJDTTWGSOYBOW-UHFFFAOYSA-N |