Chemical ID: 5983843

Cc1cccc(c1)c2nnc(s2)NC(=O)C3CCCN3C(=O)c4ccc(cc4)[N+](=O)[O-]
Chemical ID:
5983843
Name [?]:
N-[5-(m-tolyl)-1,3,4-thiadiazol-2-yl]-1-(4-nitrobenzoyl)-pyrrolidine-2-carboxamide
SMILES [?]:
Cc1cccc(c1)c2nnc(s2)NC(=O)C3CCCN3C(=O)c4ccc(cc4)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H19N5O4S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:6.53413
Area:662.335
Solvation:-10.0243
Coulombic:-54.1073
Bond Count [?]
All:34
Single:23
Double:11
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:437.473
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:4.31
LogP (Chemaxon):3.43

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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