Chemical ID: 5425594

CCN(CC)S(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])NCC2COc3ccccc3O2
Chemical ID:
5425594
Name [?]:
4-(7,10-dioxabicyclo[4.4.0]deca-2,4,11-trien-8-ylmethylamino)-N,N-diethyl-3-nitro-benzenesulfonamide
SMILES [?]:
CCN(CC)S(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])NCC2COc3ccccc3O2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H23N3O6S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:6.23378
Area:621.438
Solvation:-9.30217
Coulombic:-47.7268
Bond Count [?]
All:31
Single:22
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:421.469
H-Bond Donors:1
H-Bond Acceptors:9
XLogP:3.48
LogP (Chemaxon):3.29

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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