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Chemical ID: 5174764
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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Experimental Annotations
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Descriptor Annotations
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