Chemical ID: 4562962

CC1(CC2CC(C1)(CN2c3c4c(c5cc(ccc5[nH]4)OC)ncn3)C)C
Chemical ID:
4562962
Name [?]:
None
SMILES [?]:
CC1(CC2CC(C1)(CN2c3c4c(c5cc(ccc5[nH]4)OC)ncn3)C)C
InChi [?]:
InChI=1/C21H26N4O/c1-20(2)8-13-9-21(3,10-20)11-25(13)19-18-17(22-12-23-19)15-7-14(26-4)5-6-16(15)24-18/h5-7,12-13,24H,8-11H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,26,25,21,16,17,14,3,5,7,8,23,4,15,13,18,12,11,10,2,6,22,24,19,9,20/E:(1,2)/rA:26cCCCCCCCCNCCCCCCCCCNOCNCNCC/rB:s1;s2;s3;s4;s5;s2s6;s6;s4s8;s9;s10;d11;s12;s13;d14;s15;d16;d13s17;s11s18;s15;s20;s12;d22;d10s23;s6;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H26N4O
All Atoms:26
Heavy Atoms:26
Chiral Atoms:3
ZAP Information [?]
Total:10.4326
Area:528.411
Solvation:-2.77772
Coulombic:-37.6126
Bond Count [?]
All:30
Single:24
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:350.457
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.97
LogP (Chemaxon):5.19

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Descriptor Annotations

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