Chemical ID: 4532216

CCOC(=O)c1ccc(cc1)NC(=O)C(=O)NN=Cc2c3ccccc3ccc2O
Chemical ID:
4532216
Name [?]:
ethyl 4-[(2-hydroxy-1-naphthyl)methyleneaminocarbamoylformyl]aminobenzoate
SMILES [?]:
CCOC(=O)c1ccc(cc1)NC(=O)C(=O)NN=Cc2c3ccccc3ccc2O
InChi [?]:
InChI=1/C22H19N3O5/c1-2-30-22(29)15-7-10-16(11-8-15)24-20(27)21(28)25-23-13-18-17-6-4-3-5-14(17)9-12-19(18)26/h3-13,26H,2H2,1H3,(H,24,27)(H,25,28)
InChi Info:
AuxInfo=1/1/N:1,2,24,23,25,22,7,11,27,8,10,28,19,26,6,9,21,20,29,13,15,4,18,12,17,30,14,16,5,3/E:(7,8)(10,11)/rA:30nCCOCOCCCCCCNCOCONNCCCCCCCCCCCO/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;d15;s15;s17;w18;s19;s20;s21;d22;s23;d24;d21s25;s26;d27;d20s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H19N3O5
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:11.4452
Area:636.949
Solvation:-4.47852
Coulombic:-81.065
Bond Count [?]
All:32
Single:20
Double:12
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:405.403
H-Bond Donors:3
H-Bond Acceptors:8
XLogP:4.24
LogP (Chemaxon):3.59

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Descriptor Annotations

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