AC1N665K
2-[[4-(3-methylphenyl)-3-oxo-12-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]-N-(2-phenylethyl)acetamide
Also Known As: 2-((6-isopropyl-4-oxo-3-(m-tolyl)-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-phenethylacetamide|2-{[3-(3-methylphenyl)-4-oxo-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(2-phenylethyl)acetamide
| Molecular Formula | C29H31N3O3S2 |
|---|---|
| Molecular Weight | 533.18066 g/mol |
| LogP | 5.30392 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 533.18066 |
| Monoisotopic Mass | 533.18066 |
| Heavy Atoms | 37 |
| Complexity | 1477.2811 |
Chemical Identifiers
| CAS Number | 836635-75-7 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=O)C3=C(N=C2SCC(=O)NCCC4=CC=CC=C4)SC5=C3CC(OC5)C(C)C |
Product Overview
AC1N665K (CAS 836635-75-7), with molecular formula C29H31N3O3S2 and molecular weight 533.18066 g/mol. IUPAC: 2-[[4-(3-methylphenyl)-3-oxo-12-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]-N-(2-phenylethyl)acetamide.
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