Chemical ID: 6650095

Cc1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)COc3ccccc3
Chemical ID:
6650095
Name [?]:
[4-[(2-phenoxyacetyl)aminoiminomethyl]phenyl] 4-methylbenzoate
SMILES [?]:
Cc1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)COc3ccccc3
InChi [?]:
InChI=1/C23H20N2O4/c1-17-7-11-19(12-8-17)23(27)29-21-13-9-18(10-14-21)15-24-25-22(26)16-28-20-5-3-2-4-6-20/h2-15H,16H2,1H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,27,26,28,25,29,3,7,13,15,4,6,12,16,17,22,2,14,5,24,11,20,8,18,19,21,9,23,10/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:29nCCCCCCCCOOCCCCCCCNNCOCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;w17;s18;s19;d20;s20;s22;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:9.95883
Area:647.791
Solvation:-6.23594
Coulombic:-47.1417
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:5.61
LogP (Chemaxon):4.71

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Descriptor Annotations

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