Chemical ID: 4339123

CC1=NN(C(=O)C1=Cc2ccc3c(c2)OCO3)c4ccc(cc4)S(=O)(=O)N
Chemical ID:
4339123
Name [?]:
4-[4-(benzo[1,3]dioxol-5-ylmethylene)-3-methyl-5-oxo-pyrazol-1-yl]benzenesulfonamide
SMILES [?]:
CC1=NN(C(=O)C1=Cc2ccc3c(c2)OCO3)c4ccc(cc4)S(=O)(=O)N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H15N3O5S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.48729
Area:566.616
Solvation:-4.67812
Coulombic:-48.1627
Bond Count [?]
All:30
Single:19
Double:11
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:385.395
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:1.98
LogP (Chemaxon):2.41

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Descriptor Annotations

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