Chemical ID: 5496002

c1ccc2cc(c(cc2c1)C(=O)OCC(=O)Nc3ccc(cc3)C(=O)N)O
Chemical ID:
5496002
Name [?]:
(4-carbamoylphenyl)carbamoylmethyl 3-hydroxynaphthalene-2-carboxylate
SMILES [?]:
c1ccc2cc(c(cc2c1)C(=O)OCC(=O)Nc3ccc(cc3)C(=O)N)O
InChi [?]:
InChI=1/C20H16N2O5/c21-19(25)12-5-7-15(8-6-12)22-18(24)11-27-20(26)16-9-13-3-1-2-4-14(13)10-17(16)23/h1-10,23H,11H2,(H2,21,25)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,2,10,3,20,22,19,23,8,5,14,21,9,4,18,7,6,15,24,11,26,17,27,16,25,12,13/E:(5,6)(7,8)/rA:27nCCCCCCCCCCCOOCCONCCCCCCCONO/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s7;d11;s11;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s21;d24;s24;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H16N2O5
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.17476
Area:585.216
Solvation:-5.45563
Coulombic:-82.3417
Bond Count [?]
All:29
Single:18
Double:11
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:364.352
H-Bond Donors:4
H-Bond Acceptors:7
XLogP:3.43
LogP (Chemaxon):2.69

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