Chemical ID: 4238153

C1CC2CC3CC1CC(C2)(C3)c4nnc(s4)N
Chemical ID:
4238153
Name [?]:
None
SMILES [?]:
C1CC2CC3CC1CC(C2)(C3)c4nnc(s4)N
InChi [?]:
InChI=1/C13H19N3S/c14-12-16-15-11(17-12)13-5-8-1-2-9(6-13)4-10(3-8)7-13/h8-10H,1-7H2,(H2,14,16)
InChi Info:
AuxInfo=1/1/N:1,2,6,4,8,10,11,7,3,5,12,15,9,17,13,14,16/E:(1,2)(3,4)(5,6)(8,9)/rA:17cCCCCCCCCCCCCNNCSN/rB:s1;s2;s3;s4;s5;s1s6;s7;s8;s3s9;s5s9;s9;d12;s13;d14;s12s15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H19N3S
All Atoms:17
Heavy Atoms:17
Chiral Atoms:2
ZAP Information [?]
Total:8.87781
Area:390.466
Solvation:-0.883827
Coulombic:-22.9298
Bond Count [?]
All:20
Single:18
Double:2
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:249.376
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:4.24
LogP (Chemaxon):2.39

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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