Chemical ID: 6644199

CC(C(=O)NN=Cc1ccc(c(c1)OC)OC(=O)c2ccccc2)Oc3ccc(cc3)c4ccccc4
Chemical ID:
6644199
Name [?]:
[2-methoxy-4-[2-(4-phenylphenoxy)propanoylaminoiminomethyl]phenyl] benzoate
SMILES [?]:
CC(C(=O)NN=Cc1ccc(c(c1)OC)OC(=O)c2ccccc2)Oc3ccc(cc3)c4ccccc4
InChi [?]:
InChI=1/C30H26N2O5/c1-21(36-26-16-14-24(15-17-26)23-9-5-3-6-10-23)29(33)32-31-20-22-13-18-27(28(19-22)35-2)37-30(34)25-11-7-4-8-12-25/h3-21H,1-2H3,(H,32,33)
InChi Info:
AuxInfo=1/1/N:1,15,35,22,34,36,21,23,33,37,20,24,9,28,30,27,31,10,13,7,2,8,32,29,19,26,11,12,3,17,6,5,4,18,14,25,16/E:(5,6)(7,8)(9,10)(11,12)(14,15)(16,17)/rA:37cCCCONNCCCCCCCOCOCOCCCCCCOCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s12;s14;s11;s16;d17;s17;s19;d20;s21;d22;d19s23;s2;s25;s26;d27;s28;d29;d26s30;s29;s32;d33;s34;d35;d32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H26N2O5
All Atoms:37
Heavy Atoms:37
Chiral Atoms:1
ZAP Information [?]
Total:12.0372
Area:779.225
Solvation:-7.44343
Coulombic:-56.9495
Bond Count [?]
All:40
Single:25
Double:15
Rotors:11
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:494.538
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:7.29
LogP (Chemaxon):6.22

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