Chemical ID: 4625079

CCCCSc1[nH]c(=O)c2c3c(sc2n1)CCCC3
Chemical ID:
4625079
Name [?]:
None
SMILES [?]:
CCCCSc1[nH]c(=O)c2c3c(sc2n1)CCCC3
InChi [?]:
InChI=1/C14H18N2OS2/c1-2-3-8-18-14-15-12(17)11-9-6-4-5-7-10(9)19-13(11)16-14/h2-8H2,1H3,(H,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,3,18,17,19,16,4,11,12,10,8,14,6,7,15,9,5,13/rA:19nCCCCSCNCOCCCSCNCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;d11;s12;d10s13;d6s14;s12;s16;s17;s11s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H18N2OS2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:10.9354
Area:481.77
Solvation:-1.10881
Coulombic:-29.2723
Bond Count [?]
All:21
Single:17
Double:4
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:294.438
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.46
LogP (Chemaxon):4.21

Name Annotations

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Descriptor Annotations

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