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Chemical ID: 6629177
Chemical ID:
6629177
Name [?]:
[2-methoxy-4-[[2-(2-naphthyloxy)acetyl]aminoiminomethyl]phenyl] 4-propoxybenzoate
SMILES [?]:
CCCOc1ccc(cc1)C(=O)Oc2ccc(cc2OC)C=NNC(=O)COc3ccc4ccccc4c3
InChi [?]:
InChI=1/C30H28N2O6/c1-3-16-36-25-12-10-23(11-13-25)30(34)38-27-15-8-21(17-28(27)35-2)19-31-32-29(33)20-37-26-14-9-22-6-4-5-7-24(22)18-26/h4-15,17-19H,3,16,20H2,1-2H3,(H,32,33)
InChi Info:
AuxInfo=1/1/N:1,21,2,34,35,33,36,16,31,7,9,6,10,30,15,3,18,38,22,27,17,32,8,37,5,29,14,19,25,11,23,24,26,12,20,4,28,13/E:(10,11)(12,13)/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;s32;d33;s34;d35;d32s36;d29s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H28N2O6 |
All Atoms: | 38 |
Heavy Atoms: | 38 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2772 |
Area: | 807.004 |
Solvation: | -8.89792 |
Coulombic: | -61.7491 |
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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