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Chemical ID: 6909212

Cc1ccc2c(c1)c(=NCCc3ccccc3)cc(o2)c4ccc(c(c4)OC)OC

Chemical ID:

6909212

Name [?]:

2-(3,4-dimethoxyphenyl)-6-methyl-N-phenethyl-chromen-4-imine

SMILES [?]:

Cc1ccc2c(c1)c(=NCCc3ccccc3)cc(o2)c4ccc(c(c4)OC)OC

InChi [?]:

InChI=1/C26H25NO3/c1-18-9-11-23-21(15-18)22(27-14-13-19-7-5-4-6-8-19)17-25(30-23)20-10-12-24(28-2)26(16-20)29-3/h4-12,15-17H,13-14H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,30,28,15,14,16,13,17,3,22,4,23,11,10,7,26,18,2,12,21,6,8,5,24,19,25,9,29,27,20/E:(5,6)(7,8)/rA:30nCCCCCCCCNCCCCCCCCCCOCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;w8;s9;s10;s11;s12;d13;s14;d15;d12s16;s8;d18;s5s19;s19;s21;d22;s23;d24;d21s25;s25;s27;s24;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₅NO₃
All Atoms:	55
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	10.39
Area:	643.888
Solvation:	-5.70719
Coulombic:	-30.1717

Bond Count [?]

All:	33
Single:	22
Double:	11
Rotors:	6
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	399.482
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	5.71
LogP (Chemaxon):	6.03

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value