Chemical ID: 5174764

CN(C)CCCN1c2ccccc2Sc3c1cc(cc3)OC
Chemical ID:
5174764
Name [?]:
3-(2-methoxyphenothiazin-10-yl)-N,N-dimethyl-propan-1-amine
SMILES [?]:
CN(C)CCCN1c2ccccc2Sc3c1cc(cc3)OC
InChi [?]:
InChI=1/C18H22N2OS/c1-19(2)11-6-12-20-15-7-4-5-8-17(15)22-18-10-9-14(21-3)13-16(18)20/h4-5,7-10,13H,6,11-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,22,10,11,5,9,12,19,20,4,6,17,18,8,16,13,15,2,7,21,14/E:(1,2)/rA:22nCNCCCCNCCCCCCSCCCCCCOC/rB:s1;s2;s2;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s13;s14;s7s15;d16;s17;d18;d15s19;s18;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H22N2OS
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.72008
Area:510.522
Solvation:-3.04298
Coulombic:-20.267
Bond Count [?]
All:24
Single:18
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:314.446
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.22
LogP (Chemaxon):3.78

Name Annotations

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Descriptor Annotations

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