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Chemical ID: 5496002
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
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Experimental Annotations
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Descriptor Annotations
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