Chemical ID: 6892061

CCCSc1[nH]c(=O)c2c3c(sc2n1)CC(CC3)C
Chemical ID:
6892061
Name [?]:
None
SMILES [?]:
CCCSc1[nH]c(=O)c2c3c(sc2n1)CC(CC3)C
InChi [?]:
InChI=1/C14H18N2OS2/c1-3-6-18-14-15-12(17)11-9-5-4-8(2)7-10(9)19-13(11)16-14/h8H,3-7H2,1-2H3,(H,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,19,2,17,18,3,15,16,10,11,9,7,13,5,6,14,8,4,12/rA:19cCCCSCNCOCCCSCNCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;d10;s11;d9s12;d5s13;s11;s15;s16;s10s17;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H18N2OS2
All Atoms:37
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:10.8894
Area:480.176
Solvation:-1.11497
Coulombic:-29.2704
Bond Count [?]
All:21
Single:17
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:294.438
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.4
LogP (Chemaxon):4.14

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Descriptor Annotations

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