AC1LXS0C
2-[(5,5-dimethyl-6,17-dioxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12,14-hexaen-15-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
Also Known As: 2-((8,8-dimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-4-yl)thio)-1-(pyrrolidin-1-yl)ethanone|2-[(8,8-DIMETHYL-7,10-DIHYDRO-8H-PYRANO[3'',4'':5',6']PYRIDO[3',2':4,5]FURO[3,2-D]PYRIMIDIN-4-YL)SULFANYL]-1-(1-PYRROLIDINYL)-1-ETHANONE|2-[(8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-4-yl)sulfanyl]-1-(pyrrolidin-1-yl)ethanone
| Molecular Formula | C20H22N4O3S |
|---|---|
| Molecular Weight | 398.14127 g/mol |
| LogP | 3.3368 |
| Topological Polar Surface Area | 81.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 398.14127 |
| Monoisotopic Mass | 398.14127 |
| Heavy Atoms | 28 |
| Complexity | 1072.179 |
Chemical Identifiers
| CAS Number | 896807-63-9 |
|---|---|
| SMILES | CC1(CC2=NC3=C(C=C2CO1)C4=C(O3)C(=NC=N4)SCC(=O)N5CCCC5)C |
Product Overview
AC1LXS0C (CAS 896807-63-9), with molecular formula C20H22N4O3S and molecular weight 398.14127 g/mol. IUPAC: 2-[(5,5-dimethyl-6,17-dioxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12,14-hexaen-15-yl)sulfanyl]-1-pyrrolidin-1-ylethanone.
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