Chemical ID: 6004375

Cc1cccc(c1)c2nnc(s2)NC(=O)C(C)NC(=O)c3ccc(c(c3)[N+](=O)[O-])C
Chemical ID:
6004375
Name [?]:
4-methyl-N-[1-[[5-(m-tolyl)-1,3,4-thiadiazol-2-yl]carbamoyl]ethyl]-3-nitro-benzamide
SMILES [?]:
Cc1cccc(c1)c2nnc(s2)NC(=O)C(C)NC(=O)c3ccc(c(c3)[N+](=O)[O-])C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H19N5O4S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:7.94758
Area:665.994
Solvation:-8.70227
Coulombic:-59.6038
Bond Count [?]
All:32
Single:21
Double:11
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:425.462
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:4.31
LogP (Chemaxon):3.67

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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