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Chemical ID: 6138524
Chemical ID:
6138524
Name [?]:
1-(2,5-dimethylphenyl)amino-3-phenothiazin-10-yl-propan-2-ol
SMILES [?]:
Cc1ccc(c(c1)NCC(CN2c3ccccc3Sc4c2cccc4)O)C
InChi [?]:
InChI=1/C23H24N2OS/c1-16-11-12-17(2)19(13-16)24-14-18(26)15-25-20-7-3-5-9-22(20)27-23-10-6-4-8-21(23)25/h3-13,18,24,26H,14-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,15,23,16,24,14,22,17,25,3,4,7,9,11,2,5,10,6,13,21,18,20,8,12,26,19/E:(3,4)(5,6)(7,8)(9,10)(20,21)(22,23)/rA:27cCCCCCCCNCCCNCCCCCCSCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s18;s19;s12s20;d21;s22;d23;d20s24;s10;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H24N2OS |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.1536 |
Area: | 590.996 |
Solvation: | -3.62133 |
Coulombic: | -37.5279 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 376.516 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 5.54 |
LogP (Chemaxon): | 6.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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