Chemical ID: 6261511

CCCCOc1ccc(cc1)C(=O)Nc2nc3ccc4c(c3s2)nc(s4)C
Chemical ID:
6261511
Name [?]:
None
SMILES [?]:
CCCCOc1ccc(cc1)C(=O)Nc2nc3ccc4c(c3s2)nc(s4)C
InChi [?]:
InChI=1/C20H19N3O2S2/c1-3-4-11-25-14-7-5-13(6-8-14)19(24)23-20-22-15-9-10-16-17(18(15)27-20)21-12(2)26-16/h5-10H,3-4,11H2,1-2H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,27,2,3,8,10,7,11,18,19,4,25,9,6,17,20,21,22,12,15,24,16,14,13,5,26,23/E:(5,6)(7,8)/rA:27nCCCCOCCCCCCCONCNCCCCCCSNCSC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;d15;s16;s17;d18;s19;d20;d17s21;s15s22;s21;d24;s20s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19N3O2S2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.9658
Area:630.049
Solvation:-3.78539
Coulombic:-40.549
Bond Count [?]
All:30
Single:21
Double:9
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:397.516
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.93
LogP (Chemaxon):5.5

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