Chemical ID: 6627700

CCOc1cc(ccc1OC(=O)c2ccccc2)C=NNC(=O)c3ccc(cc3)C
Chemical ID:
6627700
Name [?]:
[2-ethoxy-4-[(4-methylbenzoyl)aminoiminomethyl]phenyl] benzoate
SMILES [?]:
CCOc1cc(ccc1OC(=O)c2ccccc2)C=NNC(=O)c3ccc(cc3)C
InChi [?]:
InChI=1/C24H22N2O4/c1-3-29-22-15-18(16-25-26-23(27)19-12-9-17(2)10-13-19)11-14-21(22)30-24(28)20-7-5-4-6-8-20/h4-16H,3H2,1-2H3,(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,30,2,16,15,17,14,18,26,28,7,25,29,8,5,19,27,6,24,13,9,4,22,11,20,21,23,12,3,10/E:(5,6)(7,8)(9,10)(12,13)/rA:30nCCOCCCCCCOCOCCCCCCCNNCOCCCCCCC/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:C24H22N2O4
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:11.3401
Area:648.462
Solvation:-4.87143
Coulombic:-49.2972
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:6.0
LogP (Chemaxon):5.03

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Descriptor Annotations

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