Chemical ID: 4389334

CC(=CCSc1[nH]c(=O)c2c3c(sc2n1)CCCC3)C
Chemical ID:
4389334
Name [?]:
None
SMILES [?]:
CC(=CCSc1[nH]c(=O)c2c3c(sc2n1)CCCC3)C
InChi [?]:
InChI=1/C15H18N2OS2/c1-9(2)7-8-19-15-16-13(18)12-10-5-3-4-6-11(10)20-14(12)17-15/h7H,3-6,8H2,1-2H3,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,20,18,17,19,16,3,4,2,11,12,10,8,14,6,7,15,9,5,13/E:(1,2)/rA:20nCCCCSCNCOCCCSCNCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;d8;s8;s10;d11;s12;d10s13;d6s14;s12;s16;s17;s11s18;s2;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H18N2OS2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:11.2279
Area:497.725
Solvation:-1.21523
Coulombic:-29.4786
Bond Count [?]
All:22
Single:17
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:306.448
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.11
LogP (Chemaxon):4.24

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