AC1LRC4G
5-amino-2-(2-morpholin-4-yl-2-oxoethyl)-6-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (E)-6-(4-hydroxybenzylidene)-5-imino-2-(2-morpholino-2-oxoethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one|4-[(E)-{5-iminio-2-[2-(morpholin-4-yl)-2-oxoethyl]-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene}methyl]phenolate|5-amino-2-(2-morpholin-4-yl-2-oxoethyl)-6-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C18H17N5O4S |
|---|---|
| Molecular Weight | 399.10013 g/mol |
| LogP | 0.213 |
| Topological Polar Surface Area | 119.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 399.10013 |
| Monoisotopic Mass | 399.10013 |
| Heavy Atoms | 28 |
| Complexity | 1087.1093 |
Chemical Identifiers
| CAS Number | 848919-06-2 |
|---|---|
| SMILES | C1COCCN1C(=O)CC2=NN3C(=C(C(=O)N=C3S2)C=C4C=CC(=O)C=C4)N |
Product Overview
AC1LRC4G (CAS 848919-06-2), with molecular formula C18H17N5O4S and molecular weight 399.10013 g/mol. IUPAC: 5-amino-2-(2-morpholin-4-yl-2-oxoethyl)-6-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
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