Chemical ID: 4662036

CCCc1c2c(c3c4c(c(ncn4)S)sc3n1)CC(OC2)(C)C
Chemical ID:
4662036
Name [?]:
None
SMILES [?]:
CCCc1c2c(c3c4c(c(ncn4)S)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:1,22,23,2,3,18,21,12,6,5,4,7,8,9,10,16,19,13,11,17,20,14,15/E:(2,3)/rA:23nCCCCCCCCCCNCNSSCNCCOCCC/rB:s1;s2;s3;s4;d5;s6;s7;s8;d9;s10;d11;d8s12;s10;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:10.0491
Area:515.839
Solvation:-2.84683
Coulombic:-26.0063
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:2.8
LogP (Chemaxon):4.05

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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