Chemical ID: 6495601

CCOc1ccc(cc1)NC=C2C(=C(C(=O)N(C2=O)C)C#N)C
Chemical ID:
6495601
Name [?]:
5-[(4-ethoxyphenyl)aminomethylene]-1,4-dimethyl-2,6-dioxo-pyridine-3-carbonitrile
SMILES [?]:
CCOc1ccc(cc1)NC=C2C(=C(C(=O)N(C2=O)C)C#N)C
InChi [?]:
InChI=1/C17H17N3O3/c1-4-23-13-7-5-12(6-8-13)19-10-15-11(2)14(9-18)16(21)20(3)17(15)22/h5-8,10,19H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,23,20,2,6,8,5,9,21,11,13,7,4,14,12,15,18,22,10,17,16,19,3/E:(5,6)(7,8)/rA:23nCCOCCCCCCNCCCCCONCOCCNC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;w11;s12;d13;s14;d15;s15;s12s17;d18;s17;s14;t21;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17N3O3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.93253
Area:522.667
Solvation:-4.13414
Coulombic:-46.8205
Bond Count [?]
All:24
Single:16
Double:7
Rotors:4
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:311.335
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:1.51
LogP (Chemaxon):1.23

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