AC1LDEXB

6-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-2-N-(3-chloro-4-methylphenyl)-1,3,5-triazine-2,4-diamine

Also Known As: NCGC00069510-02|AB00408736-09|6-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-N-(3-chloro-4-methylphenyl)-1,3,5-triazine-2,4-diamine|(4-amino-6-{[4-(2H-benzo[3,4-d]1,3-dioxolan-5-ylmethyl)piperazinyl]methyl}(1,3 ,5-triazin-2-yl))(3-chloro-4-methylphenyl)amine|(4Z)-6-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-4-[(3-chloro-4-methylphenyl)imino]-4,5-dihydro-1,3,5-triazin-2-amine|6-((4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)methyl)-N2-(3-chloro-4-methylphenyl)-1,3,5-triazine-2,4-diamine|6-({4-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]PIPERAZIN-1-YL}METHYL)-N2-(3-CHLORO-4-METHYLPHENYL)-1,3,5-TRIAZINE-2,4-DIAMINE|6-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-2-N-(3-chloro-4-methylphenyl)-1,3,5-triazine-2,4-diamine

Molecular Formula	C23H26ClN7O2
Molecular Weight	467.18365 g/mol
LogP	3.5
Topological Polar Surface Area	102.0 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	9
Rotatable Bonds	6
Exact Mass	467.18365
Monoisotopic Mass	467.18365
Heavy Atoms	33
Complexity	626.0

Chemical Identifiers

CAS Number	774591-57-0
SMILES	CC1=C(C=C(C=C1)NC2=NC(=NC(=N2)N)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5)Cl
InChIKey	GCAQITKQIFCUJH-UHFFFAOYSA-N