Chemical ID: 4199140

CC(=O)c1cccc(c1)NC(=O)CSc2nc3c(c4ccccc4n3CC=C)nn2
Chemical ID:
4199140
Name [?]:
None
SMILES [?]:
CC(=O)c1cccc(c1)NC(=O)CSc2nc3c(c4ccccc4n3CC=C)nn2
InChi [?]:
InChI=1/C22H19N5O2S/c1-3-11-27-18-10-5-4-9-17(18)20-21(27)24-22(26-25-20)30-13-19(29)23-16-8-6-7-15(12-16)14(2)28/h3-10,12H,1,11,13H2,2H3,(H,23,29)
InChi Info:
AuxInfo=1/1/N:28,1,27,21,22,6,5,7,20,23,26,9,13,2,4,8,19,24,11,18,17,15,10,16,29,30,25,3,12,14/rA:30nCCOCCCCCCNCOCSCNCCCCCCCCNCCCNN/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s8;s10;d11;s11;s13;s14;s15;d16;s17;s18;s19;d20;s21;d22;d19s23;s17s24;s25;s26;d27;d18;d15s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H19N5O2S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:11.9584
Area:654.23
Solvation:-4.39732
Coulombic:-47.5371
Bond Count [?]
All:33
Single:21
Double:12
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:417.485
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.77
LogP (Chemaxon):3.6

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