Chemical ID: 4610261

Cc1ccc(cc1)n2c(=O)c3c4c(sc3nc2SCC(=C)C)CN(CC4)C
Chemical ID:
4610261
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)n2c(=O)c3c4c(sc3nc2SCC(=C)C)CN(CC4)C
InChi [?]:
InChI=1/C21H23N3OS2/c1-13(2)12-26-21-22-19-18(16-9-10-23(4)11-17(16)27-19)20(25)24(21)15-7-5-14(3)6-8-15/h5-8H,1,9-12H2,2-4H3
InChi Info:
AuxInfo=1/0/N:21,22,1,27,3,7,4,6,26,25,23,19,20,2,5,12,13,11,15,9,17,16,24,8,10,18,14/E:(5,6)(7,8)/rA:27cCCCCCCCNCOCCCSCNCSCCCCCNCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;d12;s13;d11s14;s15;s8d16;s17;s18;s19;d20;s20;s13;s23;s24;s12s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H23N3OS2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:12.9744
Area:601.546
Solvation:-2.06429
Coulombic:-30.7209
Bond Count [?]
All:30
Single:22
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:397.559
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.28
LogP (Chemaxon):4.81

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Descriptor Annotations

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