Chemical ID: 5492349

Cc1cc2c(cc1Cl)nc(s2)NC(=O)c3ccc(c(c3)[N+](=O)[O-])N4CCCC4
Chemical ID:
5492349
Name [?]:
N-(5-chloro-6-methyl-benzothiazol-2-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide
SMILES [?]:
Cc1cc2c(cc1Cl)nc(s2)NC(=O)c3ccc(c(c3)[N+](=O)[O-])N4CCCC4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H17ClN4O3S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:5.73131
Area:615.063
Solvation:-9.64528
Coulombic:-43.0971
Bond Count [?]
All:31
Single:22
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:416.882
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.23
LogP (Chemaxon):5.67

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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