Chemical ID: 3855518

c1cc(sc1)C2=NCC(=O)Nc3c2c4c(s3)CCCC4
Chemical ID:
3855518
Name [?]:
None
SMILES [?]:
c1cc(sc1)C2=NCC(=O)Nc3c2c4c(s3)CCCC4
InChi [?]:
InChI=1/C15H14N2OS2/c18-12-8-16-14(11-6-3-7-19-11)13-9-4-1-2-5-10(9)20-15(13)17-12/h3,6-7H,1-2,4-5,8H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:19,18,1,20,17,2,5,8,14,15,3,9,13,6,12,7,11,10,4,16/rA:20nCCCSCCNCCONCCCCSCCCC/rB:s1;d2;s3;d1s4;s3;d6;s7;s8;d9;s9;s11;s6d12;s13;d14;s12s15;s15;s17;s18;s14s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14N2OS2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.03735
Area:446.115
Solvation:-2.11554
Coulombic:-28.1797
Bond Count [?]
All:23
Single:17
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:302.417
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.9
LogP (Chemaxon):2.55

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