Chemical ID: 5381421

CC1CCC(C(C1)OC(=O)COC(=O)c2cc(ccc2N)O)C(C)C
Chemical ID:
5381421
Name [?]:
(2-isopropyl-5-methyl-cyclohexoxy)carbonylmethyl 2-amino-5-hydroxy-benzoate
SMILES [?]:
CC1CCC(C(C1)OC(=O)COC(=O)c2cc(ccc2N)O)C(C)C
InChi [?]:
InChI=1/C19H27NO5/c1-11(2)14-6-4-12(3)8-17(14)25-18(22)10-24-19(23)15-9-13(21)5-7-16(15)20/h5,7,9,11-12,14,17,21H,4,6,8,10,20H2,1-3H3
InChi Info:
AuxInfo=1/0/N:24,25,1,3,18,4,19,7,16,11,23,2,17,5,15,20,6,9,13,21,22,10,14,12,8/E:(1,2)/rA:25cCCCCCCCOCOCOCOCCCCCCNOCCC/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;d9;s9;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;s17;s5;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H27NO5
All Atoms:25
Heavy Atoms:25
Chiral Atoms:3
ZAP Information [?]
Total:11.0671
Area:579.337
Solvation:-3.41637
Coulombic:-73.001
Bond Count [?]
All:26
Single:21
Double:5
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:349.421
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:4.15
LogP (Chemaxon):3.8

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