Chemical ID: 4669408

c1ccc(cc1)CC(=O)N2c3ccccc3Sc4c2cccc4
Chemical ID:
4669408
Name [?]:
1-phenothiazin-10-yl-2-phenyl-ethanone
SMILES [?]:
c1ccc(cc1)CC(=O)N2c3ccccc3Sc4c2cccc4
InChi [?]:
InChI=1/C20H15NOS/c22-20(14-15-8-2-1-3-9-15)21-16-10-4-6-12-18(16)23-19-13-7-5-11-17(19)21/h1-13H,14H2
InChi Info:
AuxInfo=1/0/N:1,2,6,13,21,14,22,3,5,12,20,15,23,7,4,11,19,16,18,8,10,9,17/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(16,17)(18,19)/rA:23nCCCCCCCCONCCCCCCSCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s16;s17;s10s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H15NOS
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.164
Area:489.695
Solvation:-2.07842
Coulombic:-19.6463
Bond Count [?]
All:26
Single:16
Double:10
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:317.405
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.69
LogP (Chemaxon):5.13

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Descriptor Annotations

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