Chemical ID: 6631304

CCCOc1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)COc3ccc4ccccc4c3
Chemical ID:
6631304
Name [?]:
[4-[[2-(2-naphthyloxy)acetyl]aminoiminomethyl]phenyl] 4-propoxybenzoate
SMILES [?]:
CCCOc1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)COc3ccc4ccccc4c3
InChi [?]:
InChI=1/C29H26N2O5/c1-2-17-34-25-14-10-23(11-15-25)29(33)36-26-12-7-21(8-13-26)19-30-31-28(32)20-35-27-16-9-22-5-3-4-6-24(22)18-27/h3-16,18-19H,2,17,20H2,1H3,(H,31,32)
InChi Info:
AuxInfo=1/1/N:1,2,32,33,31,34,16,18,29,7,9,15,19,6,10,28,3,36,20,25,17,30,8,35,5,14,27,23,11,21,22,24,12,4,26,13/E:(7,8)(10,11)(12,13)(14,15)/rA:36nCCCOCCCCCCCOOCCCCCCCNNCOCOCCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;w20;s21;s22;d23;s23;s25;s26;s27;d28;s29;s30;d31;s32;d33;d30s34;d27s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H26N2O5
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:11.8045
Area:777.736
Solvation:-7.63893
Coulombic:-54.6574
Bond Count [?]
All:39
Single:25
Double:14
Rotors:12
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:482.527
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:7.14
LogP (Chemaxon):5.81

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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