Chemical ID: 6650324

CCOc1ccccc1C(=O)NN=Cc2ccc(cc2)OC(=O)c3cccc(c3)Cl
Chemical ID:
6650324
Name [?]:
[4-[(2-ethoxybenzoyl)aminoiminomethyl]phenyl] 3-chlorobenzoate
SMILES [?]:
CCOc1ccccc1C(=O)NN=Cc2ccc(cc2)OC(=O)c3cccc(c3)Cl
InChi [?]:
InChI=1/C23H19ClN2O4/c1-2-29-21-9-4-3-8-20(21)22(27)26-25-15-16-10-12-19(13-11-16)30-23(28)17-6-5-7-18(24)14-17/h3-15H,2H2,1H3,(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,2,7,6,26,25,27,8,5,16,20,17,19,29,14,15,24,28,18,9,4,10,22,30,13,12,11,23,3,21/E:(10,11)(12,13)/rA:30nCCOCCCCCCCONNCCCCCCCOCOCCCCCCCl/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;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H19ClN2O4
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:10.7369
Area:663.302
Solvation:-5.84569
Coulombic:-47.2702
Bond Count [?]
All:32
Single:20
Double:12
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:422.861
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:6.46
LogP (Chemaxon):5.08

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