Chemical ID: 6261298

Cc1nc2c(s1)ccc3c2sc(n3)NC(=O)c4ccc(cc4)OC
Chemical ID:
6261298
Name [?]:
None
SMILES [?]:
Cc1nc2c(s1)ccc3c2sc(n3)NC(=O)c4ccc(cc4)OC
InChi [?]:
InChI=1/C17H13N3O2S2/c1-9-18-14-13(23-9)8-7-12-15(14)24-17(19-12)20-16(21)10-3-5-11(22-2)6-4-10/h3-8H,1-2H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,24,18,22,19,21,8,7,2,17,20,9,5,4,10,15,12,3,13,14,16,23,6,11/E:(3,4)(5,6)/rA:24nCCNCCSCCCCSCNNCOCCCCCCOC/rB:s1;d2;s3;s4;s2s5;d5;s7;d8;d4s9;s10;s11;s9d12;s12;s14;d15;s15;s17;d18;s19;d20;d17s21;s20;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13N3O2S2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.85872
Area:553.161
Solvation:-3.9703
Coulombic:-39.4888
Bond Count [?]
All:27
Single:18
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:355.436
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.59
LogP (Chemaxon):4.29

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