Chemical ID: 5311892

CC(C(=O)OC)Sc1nc2c(c3ccccc3n2Cc4ccccc4)nn1
Chemical ID:
5311892
Name [?]:
None
SMILES [?]:
CC(C(=O)OC)Sc1nc2c(c3ccccc3n2Cc4ccccc4)nn1
InChi [?]:
InChI=1/C20H18N4O2S/c1-13(19(25)26-2)27-20-21-18-17(22-23-20)15-10-6-7-11-16(15)24(18)12-14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,6,23,22,24,14,15,21,25,13,16,19,2,20,12,17,11,10,3,8,9,26,27,18,4,5,7/E:(4,5)(8,9)/rA:27cCCCOOCSCNCCCCCCCCNCCCCCCCNN/rB:s1;s2;d3;s3;s5;s2;s7;s8;d9;s10;s11;s12;d13;s14;d15;d12s16;s10s17;s18;s19;s20;d21;s22;d23;d20s24;d11;d8s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18N4O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:11.9103
Area:583.078
Solvation:-2.6666
Coulombic:-39.7834
Bond Count [?]
All:30
Single:20
Double:10
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:378.449
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.29
LogP (Chemaxon):4.36

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