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Chemical ID: 6650243
Chemical ID:
6650243
Name [?]:
[4-[(2-ethoxybenzoyl)aminoiminomethyl]phenyl] 4-methylbenzoate
SMILES [?]:
CCOc1ccccc1C(=O)NN=Cc2ccc(cc2)OC(=O)c3ccc(cc3)C
InChi [?]:
InChI=1/C24H22N2O4/c1-3-29-22-7-5-4-6-21(22)23(27)26-25-16-18-10-14-20(15-11-18)30-24(28)19-12-8-17(2)9-13-19/h4-16H,3H2,1-2H3,(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,30,2,7,6,8,5,26,28,16,20,25,29,17,19,14,27,15,24,18,9,4,10,22,13,12,11,23,3,21/E:(8,9)(10,11)(12,13)(14,15)/rA:30nCCOCCCCCCCONNCCCCCCCOCOCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s18;s21;d22;s22;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H22N2O4 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4853 |
Area: | 650.968 |
Solvation: | -5.78893 |
Coulombic: | -47.2625 |
Bond Count [?]
All: | 32 |
Single: | 20 |
Double: | 12 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 402.443 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 6.27 |
LogP (Chemaxon): | 5.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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