Chemical ID: 5844441

COc1cc(ccc1OC(=O)c2ccccc2)C=NNC(=O)Cc3ccccc3
Chemical ID:
5844441
Name [?]:
[2-methoxy-4-[(2-phenylacetyl)aminoiminomethyl]phenyl] benzoate
SMILES [?]:
COc1cc(ccc1OC(=O)c2ccccc2)C=NNC(=O)Cc3ccccc3
InChi [?]:
InChI=1/C23H20N2O4/c1-28-21-14-18(16-24-25-22(26)15-17-8-4-2-5-9-17)12-13-20(21)29-23(27)19-10-6-3-7-11-19/h2-14,16H,15H2,1H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,27,15,26,28,14,16,25,29,13,17,6,7,4,23,18,24,5,12,8,3,21,10,19,20,22,11,2,9/E:(4,5)(6,7)(8,9)(10,11)/rA:29nCOCCCCCCOCOCCCCCCCNNCOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s5;w18;s19;s20;d21;s21;s23;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H20N2O4
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:9.93301
Area:632.496
Solvation:-5.87939
Coulombic:-47.1324
Bond Count [?]
All:31
Single:19
Double:12
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:388.416
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.95
LogP (Chemaxon):4.33

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Descriptor Annotations

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