Chemical ID: 5637022

c1ccc(cc1)CC(=O)NCCNC(=O)c2c(c3ccccc3oc2=O)O
Chemical ID:
5637022
Name [?]:
4-hydroxy-2-oxo-N-[2-(2-phenylacetyl)aminoethyl]chromene-3-carboxamide
SMILES [?]:
c1ccc(cc1)CC(=O)NCCNC(=O)c2c(c3ccccc3oc2=O)O
InChi [?]:
InChI=1/C20H18N2O5/c23-16(12-13-6-2-1-3-7-13)21-10-11-22-19(25)17-18(24)14-8-4-5-9-15(14)27-20(17)26/h1-9,24H,10-12H2,(H,21,23)(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,20,21,3,5,19,22,11,12,7,4,18,23,8,16,17,14,25,10,13,9,27,15,26,24/E:(2,3)(6,7)/rA:27nCCCCCCCCONCCNCOCCCCCCCCOCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;s12;s13;d14;s14;d16;s17;s18;d19;s20;d21;d18s22;s23;s16s24;d25;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18N2O5
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.92091
Area:599.794
Solvation:-5.07393
Coulombic:-77.2027
Bond Count [?]
All:29
Single:19
Double:10
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:366.367
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:2.47
LogP (Chemaxon):2.91

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