Chemical ID: 5269400

CN(Cc1ccccc1)Cc2c(ccc3c2occ(c3=O)c4ccc(cc4)OC)O
Chemical ID:
5269400
Name [?]:
8-[(benzyl-methyl-amino)methyl]-7-hydroxy-3-(4-methoxyphenyl)-chromen-4-one
SMILES [?]:
CN(Cc1ccccc1)Cc2c(ccc3c2occ(c3=O)c4ccc(cc4)OC)O
InChi [?]:
InChI=1/C25H23NO4/c1-26(14-17-6-4-3-5-7-17)15-21-23(27)13-12-20-24(28)22(16-30-25(20)21)18-8-10-19(29-2)11-9-18/h3-13,16,27H,14-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,29,7,6,8,5,9,23,27,24,26,14,13,3,10,18,4,22,25,15,11,19,12,20,16,2,30,21,28,17/E:(4,5)(6,7)(8,9)(10,11)/rA:30cCNCCCCCCCCCCCCCCOCCCOCCCCCCOCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s2;s10;s11;d12;s13;d14;d11s15;s16;s17;d18;s15s19;d20;s19;s22;d23;s24;d25;d22s26;s25;s28;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H23NO4
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:10.5278
Area:619.803
Solvation:-4.96729
Coulombic:-46.3841
Bond Count [?]
All:33
Single:22
Double:11
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:401.454
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.51
LogP (Chemaxon):4.98

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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