Chemical ID: 7311521

CC(C)C(C)NC(=O)CSc1nnc2n1c3ccccc3c(=O)n2CC=C
Chemical ID:
7311521
Name [?]:
None
SMILES [?]:
CC(C)C(C)NC(=O)CSc1nnc2n1c3ccccc3c(=O)n2CC=C
InChi [?]:
InChI=1/C19H23N5O2S/c1-5-10-23-17(26)14-8-6-7-9-15(14)24-18(23)21-22-19(24)27-11-16(25)20-13(4)12(2)3/h5-9,12-13H,1,10-11H2,2-4H3,(H,20,25)
InChi Info:
AuxInfo=1/1/N:27,1,3,5,26,19,18,20,17,25,9,2,4,21,16,7,22,14,11,6,13,12,24,15,8,23,10/E:(2,3)/rA:27cCCCCCNCOCSCNNCNCCCCCCCONCCC/rB:s1;s2;s2;s4;s4;s6;d7;s7;s9;s10;d11;s12;d13;s11s14;s15;s16;d17;s18;d19;d16s20;s21;d22;s14s22;s24;s25;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H23N5O2S
All Atoms:50
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:12.3196
Area:603.369
Solvation:-2.76462
Coulombic:-53.3817
Bond Count [?]
All:29
Single:21
Double:8
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:385.484
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.31
LogP (Chemaxon):2.69

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