Chemical ID: 4647416

CCCCOc1cccc(c1)C2C3=C(CC(CC3=O)(C)C)Nc4ccccc4N2
Chemical ID:
4647416
Name [?]:
None
SMILES [?]:
CCCCOc1cccc(c1)C2C3=C(CC(CC3=O)(C)C)Nc4ccccc4N2
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/h6-12,14,24,26-27H,4-5,13,15-16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,20,21,2,3,25,26,8,9,7,24,27,4,11,15,17,10,6,23,28,14,18,13,12,16,22,29,19,5/E:(2,3)/rA:29cCCCCOCCCCCCCCCCCCCOCCNCCCCCCN/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s10;s12;d13;s14;s15;s16;s13s17;d18;s16;s16;s14;s22;s23;d24;s25;d26;d23s27;s12s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H30N2O2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:11.4878
Area:602.19
Solvation:-3.56699
Coulombic:-40.2394
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:5.35
LogP (Chemaxon):4.66

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