Chemical ID: 4600297

CCCc1c(c(=O)n([nH]1)c2nc3ccccc3s2)C=NCCCO
Chemical ID:
4600297
Name [?]:
2-benzothiazol-2-yl-4-(3-hydroxypropyliminomethyl)-5-propyl-1H-pyrazol-3-one
SMILES [?]:
CCCc1c(c(=O)n([nH]1)c2nc3ccccc3s2)C=NCCCO
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H20N4O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.4594
Area:564.447
Solvation:-3.65179
Coulombic:-52.1302
Bond Count [?]
All:26
Single:19
Double:7
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:344.432
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.89
LogP (Chemaxon):2.95

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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