Chemical ID: 5662104

CCCc1c2c(c3c4c(c(=S)[nH]cn4)sc3n1)CC(OC2)(C)C
Chemical ID:
5662104
Name [?]:
None
SMILES [?]:
CCCc1c2c(c3c4c(c(=S)[nH]cn4)sc3n1)CC(OC2)(C)C
InChi [?]:
InChI=1/C17H19N3OS2/c1-4-5-11-10-7-21-17(2,3)6-9(10)12-13-14(23-16(12)20-11)15(22)19-8-18-13/h8H,4-7H2,1-3H3,(H,18,19,22)
InChi Info:
AuxInfo=1/1/N:1,22,23,2,3,18,21,13,6,5,4,7,8,9,10,16,19,14,12,17,20,11,15/E:(2,3)/rA:23nCCCCCCCCCCSNCNSCNCCOCCC/rB:s1;s2;s3;s4;d5;s6;s7;d8;s9;d10;s10;s12;s8d13;s9;d7s15;d4s16;s6;s18;s19;s5s20;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H19N3OS2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.3504
Area:515.445
Solvation:-2.53573
Coulombic:-30.59
Bond Count [?]
All:26
Single:20
Double:6
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:345.484
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.68
LogP (Chemaxon):3.33

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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