Chemical ID: 6262636

CCN(CC)c1ccc(cc1)C(=O)Nc2nc3c4ccccc4ccc3s2
Chemical ID:
6262636
Name [?]:
None
SMILES [?]:
CCN(CC)c1ccc(cc1)C(=O)Nc2nc3c4ccccc4ccc3s2
InChi [?]:
InChI=1/C22H21N3OS/c1-3-25(4-2)17-12-9-16(10-13-17)21(26)24-22-23-20-18-8-6-5-7-15(18)11-14-19(20)27-22/h5-14H,3-4H2,1-2H3,(H,23,24,26)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,21,20,22,19,8,10,24,7,11,25,23,9,6,18,26,17,12,15,16,14,3,13,27/E:(1,2)(3,4)(9,10)(12,13)/rA:27nCCNCCCCCCCCCONCNCCCCCCCCCCS/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;d15;s16;s17;s18;d19;s20;d21;d18s22;s23;d24;d17s25;s15s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H21N3OS
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.4254
Area:594.436
Solvation:-2.4355
Coulombic:-36.3728
Bond Count [?]
All:30
Single:20
Double:10
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:375.488
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.22
LogP (Chemaxon):6.09

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