Chemical ID: 4501456

CSc1nc(c2c3c(sc2n1)CCC3)N4CCCC4
Chemical ID:
4501456
Name [?]:
None
SMILES [?]:
CSc1nc(c2c3c(sc2n1)CCC3)N4CCCC4
InChi [?]:
InChI=1/C14H17N3S2/c1-18-14-15-12(17-7-2-3-8-17)11-9-5-4-6-10(9)19-13(11)16-14/h2-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,17,18,13,14,12,16,19,7,8,6,5,10,3,4,11,15,2,9/E:(2,3)(7,8)/rA:19nCSCNCCCCSCNCCCNCCCC/rB:s1;s2;s3;d4;s5;s6;d7;s8;d6s9;d3s10;s8;s12;s7s13;s5;s15;s16;s17;s15s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H17N3S2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:10.4951
Area:457.57
Solvation:-0.94413
Coulombic:-20.4302
Bond Count [?]
All:22
Single:18
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:291.437
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.67
LogP (Chemaxon):4.44

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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