Chemical ID: 5617651

CCN(CC)c1ccc2cc(c(=Nc3cccc(c3)C(=O)N)oc2c1)C(=O)N
Chemical ID:
5617651
Name [?]:
2-(3-carbamoylphenyl)imino-7-diethylamino-chromene-3-carboxamide
SMILES [?]:
CCN(CC)c1ccc2cc(c(=Nc3cccc(c3)C(=O)N)oc2c1)C(=O)N
InChi [?]:
InChI=1/C21H22N4O3/c1-3-25(4-2)16-9-8-13-11-17(20(23)27)21(28-18(13)12-16)24-15-7-5-6-14(10-15)19(22)26/h5-12H,3-4H2,1-2H3,(H2,22,26)(H2,23,27)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,16,17,15,8,7,19,10,25,9,18,14,6,11,24,20,26,12,22,28,13,3,21,27,23/E:(1,2)(3,4)/rA:28nCCNCCCCCCCCCNCCCCCCCONOCCCON/rB:s1;s2;s3;s4;s3;s6;d7;s8;s9;d10;s11;w12;s13;s14;d15;s16;d17;d14s18;s18;d20;s20;s12;d9s23;d6s24;s11;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H22N4O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.01
Area:570.698
Solvation:-4.25744
Coulombic:-71.9274
Bond Count [?]
All:30
Single:20
Double:10
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:378.425
H-Bond Donors:4
H-Bond Acceptors:6
XLogP:2.18
LogP (Chemaxon):2.89

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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