Chemical ID: 4559050

CC1(c2ccccc2N(C13C=Nc4c5cccnc5ccc4O3)C)C
Chemical ID:
4559050
Name [?]:
None
SMILES [?]:
CC1(c2ccccc2N(C13C=Nc4c5cccnc5ccc4O3)C)C
InChi [?]:
InChI=1/C21H19N3O/c1-20(2)15-8-4-5-9-17(15)24(3)21(20)13-23-19-14-7-6-12-22-16(14)10-11-18(19)25-21/h4-13H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,25,24,5,6,16,15,4,7,20,21,17,11,14,3,19,8,22,13,2,10,18,12,9,23/E:(1,2)/rA:25cCCCCCCCCNCCNCCCCCNCCCCOCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s2s9;s10;d11;s12;s13;s14;d15;s16;d17;d14s18;s19;d20;d13s21;s10s22;s9;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H19N3O
All Atoms:25
Heavy Atoms:25
Chiral Atoms:2
ZAP Information [?]
Total:9.52792
Area:482.021
Solvation:-2.5226
Coulombic:-28.4775
Bond Count [?]
All:29
Single:20
Double:9
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:329.395
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.76
LogP (Chemaxon):5.68

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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