Chemical ID: 7682361

CN(C)c1ccnc2c1c3c(s2)c(=O)n(cn3)c4ccc(cc4)Cl
Chemical ID:
7682361
Name [?]:
None
SMILES [?]:
CN(C)c1ccnc2c1c3c(s2)c(=O)n(cn3)c4ccc(cc4)Cl
InChi [?]:
InChI=1/C17H13ClN4OS/c1-21(2)12-7-8-19-16-13(12)14-15(24-16)17(23)22(9-20-14)11-5-3-10(18)4-6-11/h3-9H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,20,22,19,23,5,6,16,21,18,4,9,10,11,8,13,24,7,17,2,15,14,12/E:(1,2)(3,4)(5,6)/rA:24nCNCCCCNCCCCSCONCNCCCCCCCl/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;d10;s8s11;s11;d13;s13;s15;s10d16;s15;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13ClN4OS
All Atoms:37
Heavy Atoms:24
Chiral Atoms:None
ZAP Information [?]
Total:10.1571
Area:528.977
Solvation:-3.06732
Coulombic:-32.9526
Bond Count [?]
All:27
Single:18
Double:9
Rotors:2
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.76
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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