Chemical ID: 7166106

CCc1c(sc2c1c3nc(nn3cn2)c4ccc(o4)COc5ccc(cc5)OC)C
Chemical ID:
7166106
Name [?]:
None
SMILES [?]:
CCc1c(sc2c1c3nc(nn3cn2)c4ccc(o4)COc5ccc(cc5)OC)C
InChi [?]:
InChI=1/C22H20N4O3S/c1-4-17-13(2)30-22-19(17)21-24-20(25-26(21)12-23-22)18-10-9-16(29-18)11-28-15-7-5-14(27-3)6-8-15/h5-10,12H,4,11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,30,29,2,24,26,23,27,17,16,20,13,4,25,22,18,3,15,7,10,8,6,14,9,11,12,28,21,19,5/E:(5,6)(7,8)/rA:30nCCCCSCCCNCNNCNCCCCOCOCCCCCCOCC/rB:s1;s2;d3;s4;s5;s3d6;s7;d8;s9;d10;s8s11;s12;s6d13;s10;d15;s16;d17;s15s18;s18;s20;s21;s22;d23;s24;d25;d22s26;s25;s28;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H20N4O3S
All Atoms:50
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:11.2135
Area:650.548
Solvation:-5.05022
Coulombic:-41.2087
Bond Count [?]
All:34
Single:24
Double:10
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:420.485
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.29
LogP (Chemaxon):4.47

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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