Chemical ID: 6876872

Cc1ccc(cc1)C(=O)Oc2ccc(cc2)N=c3cc(oc4c3cc(cc4)C)c5ccc(cc5)OC
Chemical ID:
6876872
Name [?]:
[4-[2-(4-methoxyphenyl)-6-methyl-chromen-4-ylidene]aminophenyl] 4-methylbenzoate
SMILES [?]:
Cc1ccc(cc1)C(=O)Oc2ccc(cc2)N=c3cc(oc4c3cc(cc4)C)c5ccc(cc5)OC
InChi [?]:
InChI=1/C31H25NO4/c1-20-4-7-23(8-5-20)31(33)35-26-15-11-24(12-16-26)32-28-19-30(22-9-13-25(34-3)14-10-22)36-29-17-6-21(2)18-27(28)29/h4-19H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,28,36,3,7,26,4,6,30,34,13,15,31,33,12,16,27,24,19,2,25,29,5,14,32,11,23,18,22,20,8,17,9,35,10,21/E:(4,5)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:36nCCCCCCCCOOCCCCCCNCCCOCCCCCCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;w17;s18;d19;s20;s21;s18s22;d23;s24;d25;d22s26;s25;s20;s29;d30;s31;d32;d29s33;s32;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C31H25NO4
All Atoms:61
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:14.4709
Area:742.788
Solvation:-4.09876
Coulombic:-43.5209
Bond Count [?]
All:40
Single:25
Double:15
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:475.535
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:7.58
LogP (Chemaxon):8.06

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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