Chemical ID: 6628322

CCOc1cc(ccc1OC(=O)c2ccccc2)C=NNC(=O)c3ccc(cc3)Cl
Chemical ID:
6628322
Name [?]:
[4-[(4-chlorobenzoyl)aminoiminomethyl]-2-ethoxy-phenyl] benzoate
SMILES [?]:
CCOc1cc(ccc1OC(=O)c2ccccc2)C=NNC(=O)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C23H19ClN2O4/c1-2-29-21-14-16(15-25-26-22(27)17-9-11-19(24)12-10-17)8-13-20(21)30-23(28)18-6-4-3-5-7-18/h3-15H,2H2,1H3,(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,2,16,15,17,14,18,7,25,29,26,28,8,5,19,6,24,13,27,9,4,22,11,30,20,21,23,12,3,10/E:(4,5)(6,7)(9,10)(11,12)/rA:30nCCOCCCCCCOCOCCCCCCCNNCOCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s6;w19;s20;s21;d22;s22;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H19ClN2O4
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:11.5787
Area:660.991
Solvation:-4.94605
Coulombic:-49.3725
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:6.19
LogP (Chemaxon):5.08

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Descriptor Annotations

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