AC1MUTMB
methyl 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]acetate
Also Known As: methyl {[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}acetate|methyl 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)acetate|METHYL 2-{[6-ISOPROPYL-3-(3-METHYLPHENYL)-4-OXO-3,5,6,8-TETRAHYDRO-4H-PYRANO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-2-YL]SULFANYL}ACETATE
| Molecular Formula | C22H24N2O4S2 |
|---|---|
| Molecular Weight | 444.11774 g/mol |
| LogP | 4.11802 |
| Topological Polar Surface Area | 70.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 444.11774 |
| Monoisotopic Mass | 444.11774 |
| Heavy Atoms | 30 |
| Complexity | 1165.8893 |
Chemical Identifiers
| CAS Number | 384797-80-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=O)C3=C(N=C2SCC(=O)OC)SC4=C3CC(OC4)C(C)C |
Product Overview
AC1MUTMB (CAS 384797-80-2), with molecular formula C22H24N2O4S2 and molecular weight 444.11774 g/mol. IUPAC: methyl 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]acetate.
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