Chemical ID: 5546501

Cc1cc(nc(n1)SCC(=O)N2c3ccccc3Sc4c2cccc4)c5ccccc5
Chemical ID:
5546501
Name [?]:
2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-1-phenothiazin-10-yl-ethanone
SMILES [?]:
Cc1cc(nc(n1)SCC(=O)N2c3ccccc3Sc4c2cccc4)c5ccccc5
InChi [?]:
InChI=1/C25H19N3OS2/c1-17-15-19(18-9-3-2-4-10-18)27-25(26-17)30-16-24(29)28-20-11-5-7-13-22(20)31-23-14-8-6-12-21(23)28/h2-15H,16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,29,28,30,15,23,16,24,27,31,14,22,17,25,3,9,2,26,4,13,21,18,20,10,6,7,5,12,11,8,19/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(20,21)(22,23)/rA:31nCCCCNCNSCCONCCCCCCSCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s19;s12s20;d21;s22;d23;d20s24;s4;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H19N3OS2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:13.1135
Area:634.716
Solvation:-2.75442
Coulombic:-31.2153
Bond Count [?]
All:35
Single:22
Double:13
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:441.57
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.26
LogP (Chemaxon):6.18

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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