Chemical ID: 5844971

COc1cc(cc(c1OC)OC)C(=O)Oc2ccccc2C=NNC(=O)COc3ccccc3Cl
Chemical ID:
5844971
Name [?]:
[2-[[2-(2-chlorophenoxy)acetyl]aminoiminomethyl]phenyl] 3,4,5-trimethoxybenzoate
SMILES [?]:
COc1cc(cc(c1OC)OC)C(=O)Oc2ccccc2C=NNC(=O)COc3ccccc3Cl
InChi [?]:
InChI=1/C25H23ClN2O7/c1-31-21-12-17(13-22(32-2)24(21)33-3)25(30)35-19-10-6-4-8-16(19)14-27-28-23(29)15-34-20-11-7-5-9-18(20)26/h4-14H,15H2,1-3H3,(H,28,29)
InChi Info:
AuxInfo=1/1/N:1,12,10,19,32,18,31,20,33,17,30,4,6,22,27,21,5,34,16,29,3,7,25,8,13,35,23,24,26,14,2,11,9,28,15/E:(1,2)(12,13)(21,22)(31,32)/rA:35nCOCCCCCCOCOCCOOCCCCCCCNNCOCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s5;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;w22;s23;s24;d25;s25;s27;s28;s29;d30;s31;d32;d29s33;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H23ClN2O7
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:8.1325
Area:749.818
Solvation:-10.6129
Coulombic:-67.1754
Bond Count [?]
All:37
Single:25
Double:12
Rotors:12
Chiral:1
Rigid Segments:10
Chemical Properties
Molecular Weight:498.912
H-Bond Donors:1
H-Bond Acceptors:9
XLogP:5.14
LogP (Chemaxon):4.01

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