Chemical ID: 5778515

CCOC(=O)c1c(n(c2c1cc(c3c2cccc3)O)CCOc4ccccc4C)C
Chemical ID:
5778515
Name [?]:
None
SMILES [?]:
CCOC(=O)c1c(n(c2c1cc(c3c2cccc3)O)CCOc4ccccc4C)C
InChi [?]:
InChI=1/C25H25NO4/c1-4-29-25(28)23-17(3)26(13-14-30-22-12-8-5-9-16(22)2)24-19-11-7-6-10-18(19)21(27)15-20(23)24/h5-12,15,27H,4,13-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,29,30,2,26,17,16,25,27,18,15,24,20,21,11,28,7,13,14,10,12,23,6,9,4,8,19,5,3,22/rA:30nCCOCOCCNCCCCCCCCCCOCCOCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;s8;s6s9;d10;s11;d12;d9s13;s14;d15;s16;s13d17;s12;s8;s20;s21;s22;s23;d24;s25;d26;d23s27;s28;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H25NO4
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:12.2077
Area:638.849
Solvation:-3.76353
Coulombic:-51.9377
Bond Count [?]
All:33
Single:23
Double:10
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:403.47
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.8
LogP (Chemaxon):5.4

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