Chemical ID: 5652540

CC(C(=O)Nc1ccccc1[N+](=O)[O-])Sc2nnc(n2c3ccccc3)c4ccco4
Chemical ID:
5652540
Name [?]:
2-[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)-propanamide
SMILES [?]:
CC(C(=O)Nc1ccccc1[N+](=O)[O-])Sc2nnc(n2c3ccccc3)c4ccco4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H17N5O4S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:8.45253
Area:640.38
Solvation:-7.55697
Coulombic:-55.7629
Bond Count [?]
All:34
Single:22
Double:12
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:435.457
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.5
LogP (Chemaxon):4.15

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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