Chemical ID: 6609205

Cc1cc(c(c(c1)C)NC(=O)COC(=O)c2cc(c3ccccc3c2O)O)C
Chemical ID:
6609205
Name [?]:
(2,4,6-trimethylphenyl)carbamoylmethyl 1,4-dihydroxynaphthalene-2-carboxylate
SMILES [?]:
Cc1cc(c(c(c1)C)NC(=O)COC(=O)c2cc(c3ccccc3c2O)O)C
InChi [?]:
InChI=1/C22H21NO5/c1-12-8-13(2)20(14(3)9-12)23-19(25)11-28-22(27)17-10-18(24)15-6-4-5-7-16(15)21(17)26/h4-10,24,26H,11H2,1-3H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,8,28,21,22,20,23,7,3,17,12,2,6,4,19,24,16,18,10,5,25,14,9,27,11,26,15,13/E:(2,3)(8,9)(13,14)/rA:28nCCCCCCCCNCOCOCOCCCCCCCCCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;d14;s14;s16;d17;s18;s19;d20;s21;d22;d19s23;d16s24;s25;s18;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H21NO5
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.67079
Area:595.109
Solvation:-5.20692
Coulombic:-72.1042
Bond Count [?]
All:30
Single:20
Double:10
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:379.406
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:4.6
LogP (Chemaxon):3.86

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