AC1MDKLC
2-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)propanoic acid
Also Known As: Oprea1_619082|BAS 03542938|AP-906/40975164|SR-01000366751-1|2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)propanoic acid|2-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)propanoic acid|2-{3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-4-yl}propanoic acid|2-(4-oxo-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-3-yl)propanoic acid|2-(4-Oxo-5,6,7,8-tetrahydro-4H-benzo[4,5]thieno[2,3-d]pyrimidin-3-yl)-propionic
| Molecular Formula | C13H14N2O3S |
|---|---|
| Molecular Weight | 278.0725 g/mol |
| LogP | 1.9824 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 278.0725 |
| Monoisotopic Mass | 278.0725 |
| Heavy Atoms | 19 |
| Complexity | 716.482 |
Chemical Identifiers
| CAS Number | 446830-21-3 |
|---|---|
| SMILES | CC(C(=O)O)N1C=NC2=C(C1=O)C3=C(S2)CCCC3 |
Product Overview
AC1MDKLC (CAS 446830-21-3), with molecular formula C13H14N2O3S and molecular weight 278.0725 g/mol. IUPAC: 2-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)propanoic acid.