Chemical ID: 4623317

c1ccc(cc1)CSc2[nH]c(=O)c3c4c(sc3n2)CCCCC4
Chemical ID:
4623317
Name [?]:
None
SMILES [?]:
c1ccc(cc1)CSc2[nH]c(=O)c3c4c(sc3n2)CCCCC4
InChi [?]:
InChI=1/C18H18N2OS2/c21-16-15-13-9-5-2-6-10-14(13)23-17(15)20-18(19-16)22-11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,21,2,6,22,20,3,5,23,19,7,4,14,15,13,11,17,9,10,18,12,8,16/E:(3,4)(7,8)/rA:23nCCCCCCCSCNCOCCCSCNCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s11;s13;d14;s15;d13s16;d9s17;s15;s19;s20;s21;s14s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18N2OS2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:11.7288
Area:528.386
Solvation:-1.48082
Coulombic:-30.4555
Bond Count [?]
All:26
Single:19
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:342.48
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.19
LogP (Chemaxon):5.17

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