Chemical ID: 7079482

CCN(CC)CCN1C(c2c(=O)c3cc(ccc3oc2C1=O)C)c4ccc(c(c4)OCC)OCC
Chemical ID:
7079482
Name [?]:
None
SMILES [?]:
CCN(CC)CCN1C(c2c(=O)c3cc(ccc3oc2C1=O)C)c4ccc(c(c4)OCC)OCC
InChi [?]:
InChI=1/C28H34N2O5/c1-6-29(7-2)14-15-30-25(19-11-13-22(33-8-3)23(17-19)34-9-4)24-26(31)20-16-18(5)10-12-21(20)35-27(24)28(30)32/h10-13,16-17,25H,6-9,14-15H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,5,35,32,23,2,4,34,31,16,25,17,26,6,7,14,29,15,24,13,18,27,28,10,9,11,20,21,3,8,12,22,33,30,19/E:(1,2)(6,7)/rA:35cCCNCCCCNCCCOCCCCCCOCCOCCCCCCCOCCOCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;d10s19;s8s20;d21;s15;s9;s24;d25;s26;d27;d24s28;s28;s30;s31;s27;s33;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H34N2O5
All Atoms:69
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:12.0907
Area:748.046
Solvation:-6.6104
Coulombic:-54.3678
Bond Count [?]
All:38
Single:29
Double:9
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:478.58
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.96
LogP (Chemaxon):3.97

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