AC1LR1TD
2-[[12,12-dimethyl-3-oxo-4-(2-phenylethyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]acetic acid
Also Known As: {[6,6-dimethyl-4-oxo-3-(2-phenylethyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetic acid|2-((6,6-dimethyl-4-oxo-3-phenethyl-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetic acid
| Molecular Formula | C21H22N2O4S2 |
|---|---|
| Molecular Weight | 430.1021 g/mol |
| LogP | 3.7287 |
| Topological Polar Surface Area | 81.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 430.1021 |
| Monoisotopic Mass | 430.1021 |
| Heavy Atoms | 29 |
| Complexity | 1119.1517 |
Chemical Identifiers
| CAS Number | 487019-82-9 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=N3)SCC(=O)O)CCC4=CC=CC=C4)C |
Product Overview
AC1LR1TD (CAS 487019-82-9), with molecular formula C21H22N2O4S2 and molecular weight 430.1021 g/mol. IUPAC: 2-[[12,12-dimethyl-3-oxo-4-(2-phenylethyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]acetic acid.
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