Chemical ID: 7182284

CCCCOc1cccc(c1)C2C3C(=O)CC(C=C3Nc4ccccc4N2)(C)C
Chemical ID:
7182284
Name [?]:
None
SMILES [?]:
CCCCOc1cccc(c1)C2C3C(=O)CC(C=C3Nc4ccccc4N2)(C)C
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/h6-12,14-15,23-24,26-27H,4-5,13,16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,28,29,2,3,23,24,8,9,7,22,25,4,11,18,16,10,6,21,26,19,14,13,12,17,20,27,15,5/E:(2,3)/rA:29cCCCCOCCCCCCCCCOCCCCNCCCCCCNCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s10;s12;s13;d14;s14;s16;s17;s13d18;s19;s20;s21;d22;s23;d24;d21s25;s12s26;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H30N2O2
All Atoms:59
Heavy Atoms:29
Chiral Atoms:2
ZAP Information [?]
Total:11.1731
Area:609.405
Solvation:-4.06203
Coulombic:-39.6259
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:5.19
LogP (Chemaxon):4.75

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Descriptor Annotations

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