Chemical ID: 4626604

COc1cc(cc(c1)OC)C(=O)N2c3ccccc3Sc4c2cccc4
Chemical ID:
4626604
Name [?]:
(3,5-dimethoxyphenyl)-phenothiazin-10-yl-methanone
SMILES [?]:
COc1cc(cc(c1)OC)C(=O)N2c3ccccc3Sc4c2cccc4
InChi [?]:
InChI=1/C21H17NO3S/c1-24-15-11-14(12-16(13-15)25-2)21(23)22-17-7-3-5-9-19(17)26-20-10-6-4-8-18(20)22/h3-13H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,16,24,17,25,15,23,18,26,4,6,8,5,3,7,14,22,19,21,11,13,12,2,9,20/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(15,16)(17,18)(19,20)(24,25)/rA:26nCOCCCCCCOCCONCCCCCCSCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s5;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s20;s13s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H17NO3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.05655
Area:524.997
Solvation:-4.06837
Coulombic:-33.5208
Bond Count [?]
All:29
Single:19
Double:10
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:363.431
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.7
LogP (Chemaxon):4.51

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Descriptor Annotations

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