AC1LXENX
4,4-dimethyl-8-phenyl-13-prop-2-enylsulfanyl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene
Also Known As: Oprea1_750652|Oprea1_855404|AL-281/41807930|allyl 2,2-dimethyl-5-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl sulfide|4,4-Dimethyl-8-phenyl-13-prop-2-enylsulfanyl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene|2,2-dimethyl-5-phenyl-8-(prop-2-en-1-ylsulfanyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine|8-(ALLYLSULFANYL)-2,2-DIMETHYL-5-PHENYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDINE|8-(allylthio)-2,2-dimethyl-5-phenyl-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
| Molecular Formula | C23H21N3OS2 |
|---|---|
| Molecular Weight | 419.1126 g/mol |
| LogP | 6.0359 |
| Topological Polar Surface Area | 47.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 419.1126 |
| Monoisotopic Mass | 419.1126 |
| Heavy Atoms | 29 |
| Complexity | 1231.5729 |
Chemical Identifiers
| CAS Number | 372184-73-1 |
|---|---|
| SMILES | CC1(CC2=C(CO1)C(=NC3=C2C4=C(S3)C(=NC=N4)SCC=C)C5=CC=CC=C5)C |
Product Overview
AC1LXENX (CAS 372184-73-1), with molecular formula C23H21N3OS2 and molecular weight 419.1126 g/mol. IUPAC: 4,4-dimethyl-8-phenyl-13-prop-2-enylsulfanyl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene.