Chemical ID: 3881760

c1cc(cnc1)CN(CCC#N)S(=O)(=O)c2ccc(cc2)S(=O)(=O)N3CCCCCC3
Chemical ID:
3881760
Name [?]:
4-azepan-1-ylsulfonyl-N-(2-cyanoethyl)-N-(3-pyridylmethyl)benzenesulfonamide
SMILES [?]:
c1cc(cnc1)CN(CCC#N)S(=O)(=O)c2ccc(cc2)S(=O)(=O)N3CCCCCC3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H26N4O4S2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:11.7421
Area:659.937
Solvation:-4.75634
Coulombic:-20.9628
Bond Count [?]
All:33
Single:22
Double:10
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:462.588
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:1.53
LogP (Chemaxon):1.94

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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