Chemical ID: 6621332

Cc1ccc(cc1)C(=O)Oc2ccc(cc2OC)C=NNC(=O)C(C)Oc3cccc4c3cccc4
Chemical ID:
6621332
Name [?]:
[2-methoxy-4-[2-(1-naphthyloxy)propanoylaminoiminomethyl]phenyl] 4-methylbenzoate
SMILES [?]:
Cc1ccc(cc1)C(=O)Oc2ccc(cc2OC)C=NNC(=O)C(C)Oc3cccc4c3cccc4
InChi [?]:
InChI=1/C29H26N2O5/c1-19-11-14-23(15-12-19)29(33)36-26-16-13-21(17-27(26)34-3)18-30-31-28(32)20(2)35-25-10-6-8-22-7-4-5-9-24(22)25/h4-18,20H,1-3H3,(H,31,32)
InChi Info:
AuxInfo=1/1/N:1,25,18,35,34,29,36,30,33,28,3,7,13,4,6,12,15,19,2,24,14,31,5,32,27,11,16,22,8,20,21,23,9,17,26,10/E:(11,12)(14,15)/rA:36cCCCCCCCCOOCCCCCCOCCNNCOCCOCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s16;s17;s14;w19;s20;s21;d22;s22;s24;s24;s26;s27;d28;s29;d30;d27s31;s32;d33;s34;s31d35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H26N2O5
All Atoms:36
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:11.3293
Area:741.834
Solvation:-7.21651
Coulombic:-56.1464
Bond Count [?]
All:39
Single:25
Double:14
Rotors:10
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:482.527
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:7.05
LogP (Chemaxon):6.0

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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