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Chemical ID: 5682619
Chemical ID:
5682619
Name [?]:
(3-oxo-2,4-dihydroquinoxalin-1-yl)carbonylmethyl 3-hydroxynaphthalene-2-carboxylate
SMILES [?]:
c1ccc2cc(c(cc2c1)C(=O)OCC(=O)N3CC(=O)Nc4c3cccc4)O
InChi [?]:
InChI=1/C21H16N2O5/c24-18-10-14-6-2-1-5-13(14)9-15(18)21(27)28-12-20(26)23-11-19(25)22-16-7-3-4-8-17(16)23/h1-10,24H,11-12H2,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,2,26,25,10,3,27,24,8,5,18,14,9,4,7,22,23,6,19,15,11,21,17,28,20,16,12,13/rA:28nCCCCCCCCCCCOOCCONCCONCCCCCCO/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s7;d11;s11;s13;s14;d15;s15;s17;s18;d19;s19;s21;s17s22;d23;s24;d25;d22s26;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H16N2O5 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.12929 |
Area: | 578.041 |
Solvation: | -5.32172 |
Coulombic: | -72.6411 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 376.362 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 3.4 |
LogP (Chemaxon): | 2.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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