Chemical ID: 6646793

COc1ccc(cc1)C(=O)Oc2ccc(cc2OC)C=NNC(=O)COc3ccc4ccccc4c3
Chemical ID:
6646793
Name [?]:
[2-methoxy-4-[[2-(2-naphthyloxy)acetyl]aminoiminomethyl]phenyl] 4-methoxybenzoate
SMILES [?]:
COc1ccc(cc1)C(=O)Oc2ccc(cc2OC)C=NNC(=O)COc3ccc4ccccc4c3
InChi [?]:
InChI=1/C28H24N2O6/c1-33-23-11-9-21(10-12-23)28(32)36-25-14-7-19(15-26(25)34-2)17-29-30-27(31)18-35-24-13-8-20-5-3-4-6-22(20)16-24/h3-17H,18H2,1-2H3,(H,30,31)
InChi Info:
AuxInfo=1/1/N:1,19,32,33,31,34,14,29,5,7,4,8,28,13,16,36,20,25,15,30,6,35,3,27,12,17,23,9,21,22,24,10,2,18,26,11/E:(9,10)(11,12)/rA:36nCOCCCCCCCOOCCCCCCOCCNNCOCOCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s18;s15;w20;s21;s22;d23;s23;s25;s26;s27;d28;s29;s30;d31;s32;d33;d30s34;d27s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H24N2O6
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:9.81316
Area:754.62
Solvation:-9.05234
Coulombic:-61.0117
Bond Count [?]
All:39
Single:25
Double:14
Rotors:11
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:484.5
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:6.01
LogP (Chemaxon):4.74

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Descriptor Annotations

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