Chemical ID: 6624748

CC(C(=O)NN=Cc1ccc(c(c1)OC)OC(=O)c2ccc(cc2)Cl)Oc3ccc4ccccc4c3
Chemical ID:
6624748
Name [?]:
[2-methoxy-4-[2-(2-naphthyloxy)propanoylaminoiminomethyl]phenyl] 4-chlorobenzoate
SMILES [?]:
CC(C(=O)NN=Cc1ccc(c(c1)OC)OC(=O)c2ccc(cc2)Cl)Oc3ccc4ccccc4c3
InChi [?]:
InChI=1/C28H23ClN2O5/c1-18(35-24-13-10-20-5-3-4-6-22(20)16-24)27(32)31-30-17-19-7-14-25(26(15-19)34-2)36-28(33)21-8-11-23(29)12-9-21/h3-18H,1-2H3,(H,31,32)
InChi Info:
AuxInfo=1/1/N:1,15,32,33,31,34,9,20,24,29,21,23,28,10,13,36,7,2,8,30,19,35,22,27,11,12,3,17,25,6,5,4,18,14,26,16/E:(8,9)(11,12)/rA:36cCCCONNCCCCCCCOCOCOCCCCCCClOCCCCCCCCCC/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s12;s14;s11;s16;d17;s17;s19;d20;s21;d22;d19s23;s22;s2;s26;s27;d28;s29;s30;d31;s32;d33;d30s34;d27s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H23ClN2O5
All Atoms:36
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:11.8942
Area:766.829
Solvation:-7.27649
Coulombic:-56.0646
Bond Count [?]
All:39
Single:25
Double:14
Rotors:10
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:502.945
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:7.24
LogP (Chemaxon):6.05

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