Chemical ID: 4161637

Cc1ccc(cc1)NC(=O)Cn2c(=O)c3c4c(sc3nn2)CCCC4
Chemical ID:
4161637
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)NC(=O)Cn2c(=O)c3c4c(sc3nn2)CCCC4
InChi [?]:
InChI=1/C18H18N4O2S/c1-11-6-8-12(9-7-11)19-15(23)10-22-18(24)16-13-4-2-3-5-14(13)25-17(16)20-21-22/h6-9H,2-5,10H2,1H3,(H,19,23)
InChi Info:
AuxInfo=1/1/N:1,24,23,25,22,3,7,4,6,11,2,5,16,17,9,15,19,13,8,20,21,12,10,14,18/E:(6,7)(8,9)/rA:25nCCCCCCCNCOCNCOCCCSCNNCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;d13;s13;s15;d16;s17;d15s18;s19;s12d20;s17;s22;s23;s16s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18N4O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.4407
Area:542.764
Solvation:-3.12838
Coulombic:-35.6987
Bond Count [?]
All:28
Single:20
Double:8
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:354.427
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.75
LogP (Chemaxon):3.02

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Descriptor Annotations

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