Chemical ID: 7727332

Cc1ccc(c(c1)NC(=O)CSc2nc3c(c(=O)n2C)SCC3)C
Chemical ID:
7727332
Name [?]:
None
SMILES [?]:
Cc1ccc(c(c1)NC(=O)CSc2nc3c(c(=O)n2C)SCC3)C
InChi [?]:
InChI=1/C17H19N3O2S2/c1-10-4-5-11(2)13(8-10)18-14(21)9-24-17-19-12-6-7-23-15(12)16(22)20(17)3/h4-5,8H,6-7,9H2,1-3H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,24,20,3,4,23,22,7,11,2,5,15,6,9,16,17,13,8,14,19,10,18,21,12/rA:24nCCCCCCCNCOCSCNCCCONCSCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;d13;s14;d15;s16;d17;s13s17;s19;s16;s21;s15s22;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H19N3O2S2
All Atoms:43
Heavy Atoms:24
Chiral Atoms:None
ZAP Information [?]
Total:10.662
Area:561.088
Solvation:-3.36515
Coulombic:-42.9524
Bond Count [?]
All:26
Single:19
Double:7
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:1.83
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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