Chemical ID: 7723996

Cc1cc(c2c(c1)n(c(=NC(=O)C(C)C)s2)CC#C)C
Chemical ID:
7723996
Name [?]:
None
SMILES [?]:
Cc1cc(c2c(c1)n(c(=NC(=O)C(C)C)s2)CC#C)C
InChi [?]:
InChI=1/C16H18N2OS/c1-6-7-18-13-9-11(4)8-12(5)14(13)20-16(18)17-15(19)10(2)3/h1,8-10H,7H2,2-5H3
InChi Info:
AuxInfo=1/0/N:19,14,15,1,20,18,17,3,7,13,2,4,6,5,11,9,10,8,12,16/E:(2,3)/rA:20nCCCCCCCNCNCOCCCSCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;w9;s10;d11;s11;s13;s13;s5s9;s8;s17;t18;s4;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H18N2OS
All Atoms:38
Heavy Atoms:20
Chiral Atoms:None
ZAP Information [?]
Total:10.135
Area:487.932
Solvation:-2.06332
Coulombic:-25.685
Bond Count [?]
All:21
Single:15
Double:5
Rotors:3
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.61
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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