Chemical ID: 5617650

CCN(CC)c1ccc2cc(c(=Nc3ccc(cc3)C(=O)N)oc2c1)C(=O)N
Chemical ID:
5617650
Name [?]:
2-(4-carbamoylphenyl)imino-7-diethylamino-chromene-3-carboxamide
SMILES [?]:
CCN(CC)c1ccc2cc(c(=Nc3ccc(cc3)C(=O)N)oc2c1)C(=O)N
InChi [?]:
InChI=1/C21H22N4O3/c1-3-25(4-2)16-10-7-14-11-17(20(23)27)21(28-18(14)12-16)24-15-8-5-13(6-9-15)19(22)26/h5-12H,3-4H2,1-2H3,(H2,22,26)(H2,23,27)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,16,18,8,15,19,7,10,25,17,9,14,6,11,24,20,26,12,22,28,13,3,21,27,23/E:(1,2)(3,4)(5,6)(8,9)/rA:28nCCNCCCCCCCCCNCCCCCCCONOCCCON/rB:s1;s2;s3;s4;s3;s6;d7;s8;s9;d10;s11;w12;s13;s14;d15;s16;d17;d14s18;s17;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:10.416
Area:574.411
Solvation:-3.94432
Coulombic:-72.2685
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue