Chemical ID: 6621828

Cc1nc2c(c3c(s2)CCCC3)c(=O)n1C(=S)N=Cc4ccccc4
Chemical ID:
6621828
Name [?]:
None
SMILES [?]:
Cc1nc2c(c3c(s2)CCCC3)c(=O)n1C(=S)N=Cc4ccccc4
InChi [?]:
InChI=1/C19H17N3OS2/c1-12-21-17-16(14-9-5-6-10-15(14)25-17)18(23)22(12)19(24)20-11-13-7-3-2-4-8-13/h2-4,7-8,11H,5-6,9-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,23,22,24,11,10,21,25,12,9,19,2,20,6,7,5,4,13,16,18,3,15,14,17,8/E:(3,4)(7,8)/rA:25nCCNCCCCSCCCCCONCSNCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s4s7;s7;s9;s10;s6s11;s5;d13;s2s13;s15;d16;s16;w18;s19;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17N3OS2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.3255
Area:515.936
Solvation:-1.57286
Coulombic:-30.5974
Bond Count [?]
All:28
Single:19
Double:9
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:367.49
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.21
LogP (Chemaxon):4.54

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