Chemical ID: 5629883

c1cc(ccc1CSc2[nH]c(=O)c3c4c(sc3n2)CCCC4)C#N
Chemical ID:
5629883
Name [?]:
None
SMILES [?]:
c1cc(ccc1CSc2[nH]c(=O)c3c4c(sc3n2)CCCC4)C#N
InChi [?]:
InChI=1/C18H15N3OS2/c19-9-11-5-7-12(8-6-11)10-23-18-20-16(22)15-13-3-1-2-4-14(13)24-17(15)21-18/h5-8H,1-4,10H2,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:21,20,22,19,2,4,1,5,23,7,3,6,14,15,13,11,17,9,24,10,18,12,8,16/E:(5,6)(7,8)/rA:24nCCCCCCCSCNCOCCCSCNCCCCCN/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;d11;s11;s13;d14;s15;d13s16;d9s17;s15;s19;s20;s14s21;s3;t23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15N3OS2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:12.0015
Area:556.359
Solvation:-1.90745
Coulombic:-32.8468
Bond Count [?]
All:27
Single:19
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:353.463
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.34
LogP (Chemaxon):4.59

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Descriptor Annotations

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