Chemical ID: 4259912

C[NH+]1CC[NH+](CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F
Chemical ID:
4259912
Name [?]:
10-[3-(4-methyl-2,3,5,6-tetrahydropyrazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine
SMILES [?]:
C[NH+]1CC[NH+](CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H26F3N3S+2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:-93.8954
Area:576.526
Solvation:-108.309
Coulombic:87.7112
Bond Count [?]
All:31
Single:25
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:409.513
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:4.87
LogP (Chemaxon):4.72

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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