Chemical ID: 6631349

CCCOc1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)COc3cccc4c3cccc4
Chemical ID:
6631349
Name [?]:
[4-[[2-(1-naphthyloxy)acetyl]aminoiminomethyl]phenyl] 4-propoxybenzoate
SMILES [?]:
CCCOc1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)COc3cccc4c3cccc4
InChi [?]:
InChI=1/C29H26N2O5/c1-2-18-34-24-16-12-23(13-17-24)29(33)36-25-14-10-21(11-15-25)19-30-31-28(32)20-35-27-9-5-7-22-6-3-4-8-26(22)27/h3-17,19H,2,18,20H2,1H3,(H,31,32)
InChi Info:
AuxInfo=1/1/N:1,2,35,34,29,36,30,33,28,16,18,7,9,15,19,6,10,3,20,25,17,31,8,5,14,32,27,23,11,21,22,24,12,4,26,13/E:(10,11)(12,13)(14,15)(16,17)/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;d30;d27s31;s32;d33;s34;s31d35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H26N2O5
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:11.8076
Area:774.947
Solvation:-7.56605
Coulombic:-55.0987
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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