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Chemical ID: 6629043
Chemical ID:
6629043
Name [?]:
[2-methoxy-4-[[2-(1-naphthyloxy)acetyl]aminoiminomethyl]phenyl] 4-propoxybenzoate
SMILES [?]:
CCCOc1ccc(cc1)C(=O)Oc2ccc(cc2OC)C=NNC(=O)COc3cccc4c3cccc4
InChi [?]:
InChI=1/C30H28N2O6/c1-3-17-36-24-14-12-23(13-15-24)30(34)38-27-16-11-21(18-28(27)35-2)19-31-32-29(33)20-37-26-10-6-8-22-7-4-5-9-25(22)26/h4-16,18-19H,3,17,20H2,1-2H3,(H,32,33)
InChi Info:
AuxInfo=1/1/N:1,21,2,37,36,31,38,32,35,30,16,7,9,6,10,15,3,18,22,27,17,33,8,5,34,29,14,19,25,11,23,24,26,12,20,4,28,13/E:(12,13)(14,15)/rA:38nCCCOCCCCCCCOOCCCCCCOCCNNCOCOCCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s20;s17;w22;s23;s24;d25;s25;s27;s28;s29;d30;s31;d32;d29s33;s34;d35;s36;s33d37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H28N2O6 |
All Atoms: | 38 |
Heavy Atoms: | 38 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.286 |
Area: | 804.231 |
Solvation: | -8.81979 |
Coulombic: | -62.1899 |
Bond Count [?]
All: | 41 |
Single: | 27 |
Double: | 14 |
Rotors: | 13 |
Chiral: | 1 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 512.553 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 8 |
XLogP: | 6.79 |
LogP (Chemaxon): | 5.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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