Chemical ID: 7165553

Cc1cc(cc(c1Cl)C)OCc2nc3c4c(c(sc4ncn3n2)C)C
Chemical ID:
7165553
Name [?]:
None
SMILES [?]:
Cc1cc(cc(c1Cl)C)OCc2nc3c4c(c(sc4ncn3n2)C)C
InChi [?]:
InChI=1/C18H17ClN4OS/c1-9-5-13(6-10(2)16(9)19)24-7-14-21-17-15-11(3)12(4)25-18(15)20-8-23(17)22-14/h5-6,8H,7H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,9,25,24,3,5,11,21,2,6,16,17,4,12,15,7,14,19,8,20,13,23,22,10,18/E:(1,2)(5,6)(9,10)/rA:25nCCCCCCCClCOCCNCCCCSCNCNNCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s4;s10;s11;s12;d13;s14;s15;d16;s17;d15s18;s19;d20;s14s21;d12s22;s17;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17ClN4OS
All Atoms:42
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.5805
Area:574.598
Solvation:-2.78441
Coulombic:-26.0909
Bond Count [?]
All:28
Single:20
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:372.873
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.33
LogP (Chemaxon):5.93

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Descriptor Annotations

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