Chemical ID: 4280495

COc1cccc(c1)C(=O)N2c3ccccc3Sc4c2cccc4
Chemical ID:
4280495
Name [?]:
(3-methoxyphenyl)-phenothiazin-10-yl-methanone
SMILES [?]:
COc1cccc(c1)C(=O)N2c3ccccc3Sc4c2cccc4
InChi [?]:
InChI=1/C20H15NO2S/c1-23-15-8-6-7-14(13-15)20(22)21-16-9-2-4-11-18(16)24-19-12-5-3-10-17(19)21/h2-13H,1H3
InChi Info:
AuxInfo=1/0/N:1,14,22,15,23,5,6,4,13,21,16,24,8,7,3,12,20,17,19,9,11,10,2,18/E:(2,3)(4,5)(9,10)(11,12)(16,17)(18,19)/rA:24nCOCCCCCCCONCCCCCCSCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s18;s11s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H15NO2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.57025
Area:493.438
Solvation:-2.7657
Coulombic:-27.7846
Bond Count [?]
All:27
Single:17
Double:10
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:333.405
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.79
LogP (Chemaxon):4.76

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Descriptor Annotations

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