ethyl 2-{2-[(6-amino-4-oxo-1,4-dihydropyrimidin-2-yl)sulfanyl]butanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[(6-amino-4-oxo-1,4-dihydropyrimidin-2-yl)sulfanyl]butanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{2-[(6-amino-4-oxo-1,4-dihydropyrimidin-2-yl)sulfanyl]butanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 5774-0051 |
| Compound Name: | ethyl 2-{2-[(6-amino-4-oxo-1,4-dihydropyrimidin-2-yl)sulfanyl]butanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 436.55 |
| Molecular Formula: | C19 H24 N4 O4 S2 |
| Smiles: | CCC(C(Nc1c(C(=O)OCC)c2CCCCc2s1)=O)SC1NC(=CC(N=1)=O)N |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7491 |
| logD: | 0.4746 |
| logSw: | -3.1901 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 98.512 |
| InChI Key: | BCJNBDYXAOFBPN-NSHDSACASA-N |