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Chemical ID: 4567678

Cc1cccc(c1)N=c2cc(cc(c3c2c(oc3C)C)OC)c4ccc(cc4)OC

Chemical ID:

4567678

Name [?]:

2-methoxy-4-(4-methoxyphenyl)-8,10-dimethyl-N-(m-tolyl)-9-oxabicyclo[5.3.0]deca-2,4,7,10-tetraen-6-imine

SMILES [?]:

Cc1cccc(c1)N=c2cc(cc(c3c2c(oc3C)C)OC)c4ccc(cc4)OC

InChi [?]:

InChI=1/C26H25NO3/c1-16-7-6-8-21(13-16)27-23-14-20(19-9-11-22(28-4)12-10-19)15-24(29-5)26-18(3)30-17(2)25(23)26/h6-15H,1-5H3

InChi Info:

AuxInfo=1/0/N:1,20,19,30,22,4,3,5,24,28,25,27,7,10,12,2,16,18,23,11,6,26,9,13,15,14,8,29,21,17/E:(9,10)(11,12)/rA:30nCCCCCCCNCCCCCCCCOCCCOCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;w8;s9;d10;s11;d12;s13;s9s14;d15;s16;d14s17;s18;s16;s13;s21;s11;s23;d24;s25;d26;d23s27;s26;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	10.6718
Area:	606.58
Solvation:	-4.49269
Coulombic:	-28.695

Bond Count [?]

All:	33
Single:	22
Double:	11
Rotors:	4
Chiral:	1
Rigid Segments:	5

Chemical Properties

Molecular Weight:	399.482
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	5.2
LogP (Chemaxon):	5.98

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value