Chemical ID: 6138524

Cc1ccc(c(c1)NCC(CN2c3ccccc3Sc4c2cccc4)O)C
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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Descriptor Annotations

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