AC1MPBN4 structure

AC1MPBN4

7-butyl-6-imino-11-methyl-2-oxo-N-(1-phenylethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide

Also Known As: Oprea1_340754|AF-399/41399804|SR-01000104172-1|1-butyl-2-imino-10-methyl-5-oxo-N-(1-phenylethyl)-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide|F1423-1372|1-butyl-2-imino-10-methyl-5-oxo-N-(1-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-a|1-butyl-2-imino-10-methyl-5-oxo-N-(1-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide|1-butyl-2-imino-10-methyl-5-oxo-N-(1-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide|7-Butyl-6-imino-11-methyl-2-oxo-N-(1-phenylethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide|1-BUTYL-2-IMINO-10-METHYL-5-OXO-N-(1-PHENYLETHYL)-1,5-DIHYDRO-2H-DIPYRIDO(1,2-A:2,3-D)PYRIMIDINE-3-CARBOXAMIDE|638-570-3

CAS: 617697-67-3
Molecular Formula C25H27N5O2
Molecular Weight 429.21646 g/mol
LogP 3.72819
Topological Polar Surface Area 92.25 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
Rotatable Bonds 6
Exact Mass 429.21646
Monoisotopic Mass 429.21646
Heavy Atoms 32
Complexity 1419.9856

Chemical Identifiers

CAS Number 617697-67-3
SMILES CCCCN1C2=C(C=C(C1=N)C(=O)NC(C)C3=CC=CC=C3)C(=O)N4C=CC=C(C4=N2)C

Product Overview

AC1MPBN4 (CAS 617697-67-3), with molecular formula C25H27N5O2 and molecular weight 429.21646 g/mol. IUPAC: 7-butyl-6-imino-11-methyl-2-oxo-N-(1-phenylethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.

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