AC1NKTEM
7-[(4-chlorophenyl)methyl]-6-imino-2-oxo-N-prop-2-enyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Also Known As: N~3~-allyl-1-(4-chlorobenzyl)-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide|1-(4-chlorobenzyl)-2-imino-5-oxo-N-(prop-2-en-1-yl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide|N-ALLYL-1-(4-CHLOROBENZYL)-2-IMINO-5-OXO-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2',3'-D]PYRIMIDINE-3-CARBOXAMIDE|N-allyl-1-(4-chlorobenzyl)-2-imino-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
| Molecular Formula | C22H18ClN5O2 |
|---|---|
| Molecular Weight | 419.1149 g/mol |
| LogP | 2.74617 |
| Topological Polar Surface Area | 92.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 419.1149 |
| Monoisotopic Mass | 419.1149 |
| Heavy Atoms | 30 |
| Complexity | 1403.7397 |
Chemical Identifiers
| CAS Number | 893702-69-7 |
|---|---|
| SMILES | C=CCNC(=O)C1=CC2=C(N=C3C=CC=CN3C2=O)N(C1=N)CC4=CC=C(C=C4)Cl |
Product Overview
AC1NKTEM (CAS 893702-69-7), with molecular formula C22H18ClN5O2 and molecular weight 419.1149 g/mol. IUPAC: 7-[(4-chlorophenyl)methyl]-6-imino-2-oxo-N-prop-2-enyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.
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