Chemical ID: 7219411

CCC1CCc2c(sc3c2c4nc(nn4cn3)CCn5ccc(n5)C)C1
Chemical ID:
7219411
Name [?]:
None
SMILES [?]:
CCC1CCc2c(sc3c2c4nc(nn4cn3)CCn5ccc(n5)C)C1
InChi [?]:
InChI=1/C19H22N6S/c1-3-13-4-5-14-15(10-13)26-19-17(14)18-21-16(23-25(18)11-20-19)7-9-24-8-6-12(2)22-24/h6,8,11,13H,3-5,7,9-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,2,4,5,22,18,21,19,26,16,23,3,6,7,13,10,11,9,17,12,24,14,20,15,8/rA:26cCCCCCCCSCCCNCNNCNCCNCCCNCC/rB:s1;s2;s3;s4;s5;d6;s7;s8;s6d9;s10;d11;s12;d13;s11s14;s15;s9d16;s13;s18;s19;s20;d21;s22;s20d23;s23;s3s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H22N6S
All Atoms:48
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:12.0978
Area:581.903
Solvation:-2.44974
Coulombic:-20.8134
Bond Count [?]
All:30
Single:23
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:366.484
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.67
LogP (Chemaxon):4.44

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Descriptor Annotations

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