Chemical ID: 5282397

CCN(CC)CCCN1C(c2c(=O)c3ccccc3oc2C1=O)c4cccc(c4)OCC
Chemical ID:
5282397
Name [?]:
None
SMILES [?]:
CCN(CC)CCCN1C(c2c(=O)c3ccccc3oc2C1=O)c4cccc(c4)OCC
InChi [?]:
InChI=1/C26H30N2O4/c1-4-27(5-2)15-10-16-28-23(18-11-9-12-19(17-18)31-6-3)22-24(29)20-13-7-8-14-21(20)32-25(22)26(28)30/h7-9,11-14,17,23H,4-6,10,15-16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,5,32,2,4,31,16,17,26,7,25,27,15,18,6,8,29,24,28,14,19,11,10,12,21,22,3,9,13,23,30,20/E:(1,2)(4,5)/rA:32cCCNCCCCCNCCCOCCCCCCOCCOCCCCCCOCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;d11s20;s9s21;d22;s10;s24;d25;s26;d27;d24s28;s28;s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H30N2O4
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:11.6857
Area:658.705
Solvation:-4.7819
Coulombic:-47.9702
Bond Count [?]
All:35
Single:26
Double:9
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:434.527
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.81
LogP (Chemaxon):3.46

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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