Chemical ID: 6715134

COc1cccc2c1oc(=Nc3ccc(cc3)C#N)c(c2)C(=O)N
Chemical ID:
6715134
Name [?]:
2-(4-cyanophenyl)imino-8-methoxy-chromene-3-carboxamide
SMILES [?]:
COc1cccc2c1oc(=Nc3ccc(cc3)C#N)c(c2)C(=O)N
InChi [?]:
InChI=1/C18H13N3O3/c1-23-15-4-2-3-12-9-14(17(20)22)18(24-16(12)15)21-13-7-5-11(10-19)6-8-13/h2-9H,1H3,(H2,20,22)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,14,16,13,17,21,18,15,7,12,20,3,8,22,10,19,24,11,23,2,9/E:(5,6)(7,8)/rA:24nCOCCCCCCOCNCCCCCCCNCCCON/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;w10;s11;s12;d13;s14;d15;d12s16;s15;t18;s10;s7d20;s20;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H13N3O3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:7.336
Area:496.936
Solvation:-5.08741
Coulombic:-50.634
Bond Count [?]
All:26
Single:16
Double:9
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:319.314
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:1.87
LogP (Chemaxon):2.85

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