Chemical ID: 6499812

CC1=C(C(=O)N(C(=O)C1=CNc2ccccc2O)Cc3ccccc3)C#N
Chemical ID:
6499812
Name [?]:
1-benzyl-5-[(2-hydroxyphenyl)aminomethylene]-4-methyl-2,6-dioxo-pyridine-3-carbonitrile
SMILES [?]:
CC1=C(C(=O)N(C(=O)C1=CNc2ccccc2O)Cc3ccccc3)C#N
InChi [?]:
InChI=1/C21H17N3O3/c1-14-16(11-22)20(26)24(13-15-7-3-2-4-8-15)21(27)17(14)12-23-18-9-5-6-10-19(18)25/h2-10,12,23,25H,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,23,22,24,14,15,21,25,13,16,26,10,19,2,20,3,9,12,17,4,7,27,11,6,18,5,8/E:(3,4)(7,8)/rA:27nCCCCONCOCCNCCCCCCOCCCCCCCCN/rB:s1;d2;s3;d4;s4;s6;d7;s2s7;w9;s10;s11;s12;d13;s14;d15;d12s16;s17;s6;s19;s20;d21;s22;d23;d20s24;s3;t26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H17N3O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.2797
Area:560.919
Solvation:-3.74326
Coulombic:-58.5561
Bond Count [?]
All:29
Single:18
Double:10
Rotors:4
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:359.378
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.91
LogP (Chemaxon):2.63

Name Annotations

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Descriptor Annotations

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