Chemical ID: 6650243

CCOc1ccccc1C(=O)NN=Cc2ccc(cc2)OC(=O)c3ccc(cc3)C
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

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Descriptor Annotations

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