Chemical ID: 3881853

COc1ccc(cc1OC)CCN(Cc2cccs2)S(=O)(=O)c3ccc(cc3)S(=O)(=O)N4CCCCCC4
Chemical ID:
3881853
Name [?]:
4-azepan-1-ylsulfonyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-thienylmethyl)benzenesulfonamide
SMILES [?]:
COc1ccc(cc1OC)CCN(Cc2cccs2)S(=O)(=O)c3ccc(cc3)S(=O)(=O)N4CCCCCC4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H34N2O6S3
All Atoms:38
Heavy Atoms:38
Chiral Atoms:1
ZAP Information [?]
Total:12.5629
Area:797.202
Solvation:-7.3672
Coulombic:-30.0958
Bond Count [?]
All:41
Single:29
Double:12
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:578.767
H-Bond Donors:0
H-Bond Acceptors:8
XLogP:3.62
LogP (Chemaxon):4.13

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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