Chemical ID: 6862263

CN(C)c1ccc(cc1)NC(=O)CSc2nnc3n2c4ccccc4cc3
Chemical ID:
6862263
Name [?]:
None
SMILES [?]:
CN(C)c1ccc(cc1)NC(=O)CSc2nnc3n2c4ccccc4cc3
InChi [?]:
InChI=1/C20H19N5OS/c1-24(2)16-10-8-15(9-11-16)21-19(26)13-27-20-23-22-18-12-7-14-5-3-4-6-17(14)25(18)20/h3-12H,13H2,1-2H3,(H,21,26)
InChi Info:
AuxInfo=1/1/N:1,3,23,22,24,21,26,6,8,5,9,27,13,25,7,4,20,18,11,15,10,17,16,2,19,12,14/E:(1,2)(8,9)(10,11)/rA:27nCNCCCCCCCNCOCSCNNCNCCCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;d15;s16;d17;s15s18;s19;s20;d21;s22;d23;d20s24;s25;s18d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19N5OS
All Atoms:46
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.4098
Area:590.648
Solvation:-3.35639
Coulombic:-39.003
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:3
XLogP:4.56
LogP (Chemaxon):4.0

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Descriptor Annotations

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