Chemical ID: 5706813

CCCCOc1cccc(c1)C2C3=C(CC(CC3=Nc4ccccc4N2)(C)C)O
Chemical ID:
5706813
Name [?]:
None
SMILES [?]:
CCCCOc1cccc(c1)C2C3=C(CC(CC3=Nc4ccccc4N2)(C)C)O
InChi [?]:
InChI=1/C25H30N2O2/c1-4-5-13-29-18-10-8-9-17(14-18)24-23-21(15-25(2,3)16-22(23)28)26-19-11-6-7-12-20(19)27-24/h6-12,14,24,27-28H,4-5,13,15-16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,27,28,2,3,22,23,8,9,7,21,24,4,11,17,15,10,6,20,25,18,14,13,12,16,19,26,29,5/E:(2,3)/rA:29cCCCCOCCCCCCCCCCCCCNCCCCCCNCCO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s10;s12;d13;s14;s15;s16;s13s17;d18;s19;s20;d21;s22;d23;d20s24;s12s25;s16;s16;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H30N2O2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:11.7499
Area:609.947
Solvation:-3.49877
Coulombic:-42.8587
Bond Count [?]
All:32
Single:24
Double:8
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:390.518
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:5.01
LogP (Chemaxon):5.3

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Descriptor Annotations

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