Chemical ID: 5553398

Cc1c(nc(nc1C)SC(C)C(=O)Nc2ccc(cc2Cl)[N+](=O)[O-])C
Chemical ID:
5553398
Name [?]:
N-(2-chloro-4-nitro-phenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-propanamide
SMILES [?]:
Cc1c(nc(nc1C)SC(C)C(=O)Nc2ccc(cc2Cl)[N+](=O)[O-])C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H17ClN4O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:6.8811
Area:586.305
Solvation:-7.77652
Coulombic:-42.5291
Bond Count [?]
All:26
Single:18
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:380.85
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.57
LogP (Chemaxon):3.18

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Experimental Annotations

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Descriptor Annotations

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