Chemical ID: 3862778

CCc1ccc(cc1)NC(=O)CSc2nc3c(c4ccccc4n3C)nn2
Chemical ID:
3862778
Name [?]:
None
SMILES [?]:
CCc1ccc(cc1)NC(=O)CSc2nc3c(c4ccccc4n3C)nn2
InChi [?]:
InChI=1/C20H19N5OS/c1-3-13-8-10-14(11-9-13)21-17(26)12-27-20-22-19-18(23-24-20)15-6-4-5-7-16(15)25(19)2/h4-11H,3,12H2,1-2H3,(H,21,26)
InChi Info:
AuxInfo=1/1/N:1,25,2,20,21,19,22,4,8,5,7,12,3,6,18,23,10,17,16,14,9,15,26,27,24,11,13/E:(8,9)(10,11)/rA:27nCCCCCCCCNCOCSCNCCCCCCCCNCNN/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;s14;d15;s16;s17;s18;d19;s20;d21;d18s22;s16s23;s24;d17;d14s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19N5OS
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.1614
Area:602.535
Solvation:-2.90197
Coulombic:-39.777
Bond Count [?]
All:30
Single:20
Double:10
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:377.464
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.22
LogP (Chemaxon):4.41

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