AC1LR05Z
5-[(4-methoxyphenyl)methylsulfanyl]-12,12-dimethyl-4-prop-2-enyl-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: 2-[(4-methoxybenzyl)sulfanyl]-6,6-dimethyl-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one|3-allyl-2-((4-methoxybenzyl)thio)-6,6-dimethyl-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one
| Molecular Formula | C22H24N2O2S3 |
|---|---|
| Molecular Weight | 444.1 g/mol |
| LogP | 5.5128 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.1 |
| Monoisotopic Mass | 444.1 |
| Heavy Atoms | 29 |
| Complexity | 1113.7732 |
Chemical Identifiers
| CAS Number | 489463-91-4 |
|---|---|
| SMILES | CC1(CC2=C(CS1)SC3=C2C(=O)N(C(=N3)SCC4=CC=C(C=C4)OC)CC=C)C |
Product Overview
AC1LR05Z (CAS 489463-91-4), with molecular formula C22H24N2O2S3 and molecular weight 444.1 g/mol. IUPAC: 5-[(4-methoxyphenyl)methylsulfanyl]-12,12-dimethyl-4-prop-2-enyl-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one.
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