Chemical ID: 6264134

CCCCCOc1ccc(cc1)C(=O)Nc2nc3ccc4c(c3s2)nc(s4)C
Chemical ID:
6264134
Name [?]:
None
SMILES [?]:
CCCCCOc1ccc(cc1)C(=O)Nc2nc3ccc4c(c3s2)nc(s4)C
InChi [?]:
InChI=1/C21H21N3O2S2/c1-3-4-5-12-26-15-8-6-14(7-9-15)20(25)24-21-23-16-10-11-17-18(19(16)28-21)22-13(2)27-17/h6-11H,3-5,12H2,1-2H3,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,28,2,3,4,9,11,8,12,19,20,5,26,10,7,18,21,22,23,13,16,25,17,15,14,6,27,24/E:(6,7)(8,9)/rA:28nCCCCCOCCCCCCCONCNCCCCCCSNCSC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;d13;s13;s15;d16;s17;s18;d19;s20;d21;d18s22;s16s23;s22;d25;s21s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H21N3O2S2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.6483
Area:658.572
Solvation:-3.81599
Coulombic:-40.8546
Bond Count [?]
All:31
Single:22
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:411.542
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.5
LogP (Chemaxon):5.9

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Descriptor Annotations

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