Chemical ID: 6406283

COc1ccc(cc1OC)C(=O)Oc2ccc(cc2)C=NNC(=O)C(c3ccccc3)OC
Chemical ID:
6406283
Name [?]:
[4-[(2-methoxy-2-phenyl-acetyl)aminoiminomethyl]phenyl] 3,4-dimethoxybenzoate
SMILES [?]:
COc1ccc(cc1OC)C(=O)Oc2ccc(cc2)C=NNC(=O)C(c3ccccc3)OC
InChi [?]:
InChI=1/C25H24N2O6/c1-30-21-14-11-19(15-22(21)31-2)25(29)33-20-12-9-17(10-13-20)16-26-27-24(28)23(32-3)18-7-5-4-6-8-18/h4-16,23H,1-3H3,(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,10,33,29,28,30,27,31,16,18,5,15,19,4,7,20,17,26,6,14,3,8,25,23,11,21,22,24,12,2,9,32,13/E:(5,6)(7,8)(9,10)(12,13)/rA:33cCOCCCCCCOCCOOCCCCCCCNNCOCCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;w20;s21;s22;d23;s23;s25;s26;d27;s28;d29;d26s30;s25;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H24N2O6
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:7.94788
Area:680.148
Solvation:-9.05584
Coulombic:-61.9499
Bond Count [?]
All:35
Single:23
Double:12
Rotors:11
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:448.468
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:4.4
LogP (Chemaxon):3.93

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue