Chemical ID: 4805456

c1nc2c3c4c(sc3nc(n2n1)N5CCCCC5)CCC4
Chemical ID:
4805456
Name [?]:
None
SMILES [?]:
c1nc2c3c4c(sc3nc(n2n1)N5CCCCC5)CCC4
InChi [?]:
InChI=1/C15H17N5S/c1-2-7-19(8-3-1)15-18-14-12(13-16-9-17-20(13)15)10-5-4-6-11(10)21-14/h9H,1-8H2
InChi Info:
AuxInfo=1/0/N:16,15,17,20,21,19,14,18,1,5,6,4,3,8,10,2,12,9,13,11,7/E:(2,3)(7,8)/rA:21nCNCCCCSCNCNNNCCCCCCCC/rB:s1;d2;s3;s4;d5;s6;d4s7;s8;d9;s3s10;d1s11;s10;s13;s14;s15;s16;s13s17;s6;s19;s5s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H17N5S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.71034
Area:460.794
Solvation:-1.80951
Coulombic:-25.1412
Bond Count [?]
All:25
Single:20
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:299.395
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.68
LogP (Chemaxon):3.91

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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