Chemical ID: 7343819

COc1ccc(c(c1)c2c3c(cc(n2)C(=O)NCc4ccco4)c5ccccc5[nH]3)OC
Chemical ID:
7343819
Name [?]:
None
SMILES [?]:
COc1ccc(c(c1)c2c3c(cc(n2)C(=O)NCc4ccco4)c5ccccc5[nH]3)OC
InChi [?]:
InChI=1/C25H21N3O4/c1-30-15-9-10-22(31-2)19(12-15)24-23-18(17-7-3-4-8-20(17)27-23)13-21(28-24)25(29)26-14-16-6-5-11-32-16/h3-13,27H,14H2,1-2H3,(H,26,29)
InChi Info:
AuxInfo=1/1/N:1,32,26,27,21,20,25,28,4,5,22,8,12,18,3,19,24,11,7,29,13,6,10,9,15,17,30,14,16,2,31,23/rA:32nCOCCCCCCCCCCCNCONCCCCCOCCCCCCNOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s11;d12;d9s13;s13;d15;s15;s17;s18;d19;s20;d21;s19s22;s11;s24;d25;s26;d27;d24s28;s10s29;s6;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H21N3O4
All Atoms:53
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:10.3145
Area:656.56
Solvation:-6.09947
Coulombic:-60.8292
Bond Count [?]
All:36
Single:24
Double:12
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:427.452
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.04
LogP (Chemaxon):4.13

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