AC1LJZLW
10-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
Also Known As: ChemDiv1_008733|Oprea1_546434|HMS611M21|AF-399/15031074|10-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-11-(prop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one|SR-01000474066-1|F0863-0354|10-[2-(3,4-Dimethoxyphenyl)-2-oxoethyl]sulfanyl-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one|3-allyl-2-((2-(3,4-dimethoxyphenyl)-2-oxoethyl)thio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one|3-allyl-2-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one|2-[2-(3,4-dimethoxyphenyl)-2-oxoethylthio]-3-prop-2-enyl-3,5,6,7-tetrahydrocyc lopenta[2,1-d]pyrimidino[4,5-b]thiophen-4-one
| Molecular Formula | C22H22N2O4S2 |
|---|---|
| Molecular Weight | 442.1021 g/mol |
| LogP | 4.1249 |
| Topological Polar Surface Area | 70.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 442.1021 |
| Monoisotopic Mass | 442.1021 |
| Heavy Atoms | 30 |
| Complexity | 1196.0461 |
Chemical Identifiers
| CAS Number | 314261-34-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)CSC2=NC3=C(C4=C(S3)CCC4)C(=O)N2CC=C)OC |
Product Overview
AC1LJZLW (CAS 314261-34-2), with molecular formula C22H22N2O4S2 and molecular weight 442.1021 g/mol. IUPAC: 10-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one.