Chemical ID: 5376076

Cc1cc(ccc1NC(=O)CSc2nnc(n2CC=C)CCNC(=O)c3ccc(cc3)OC)[N+](=O)[O-]
Chemical ID:
5376076
Name [?]:
N-[2-[4-allyl-5-[(2-methyl-4-nitro-phenyl)carbamoylmethylsulfanyl]-1,2,4-triazol-3-yl]ethyl]-4-methoxy-benzamide
SMILES [?]:
Cc1cc(ccc1NC(=O)CSc2nnc(n2CC=C)CCNC(=O)c3ccc(cc3)OC)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H26N6O5S
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:9.04481
Area:795.111
Solvation:-10.833
Coulombic:-72.71
Bond Count [?]
All:38
Single:26
Double:12
Rotors:14
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:510.567
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:4.39
LogP (Chemaxon):2.38

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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