Chemical ID: 4089623

COc1ccc(cc1OC)S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc3ccc4c(c3)OCO4
Chemical ID:
4089623
Name [?]:
N-(benzo[1,3]dioxol-5-ylmethyleneamino)-2-[(3,4-dimethoxyphenyl)sulfonyl-phenethyl-amino]-acetamide
SMILES [?]:
COc1ccc(cc1OC)S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc3ccc4c(c3)OCO4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C26H27N3O7S
All Atoms:37
Heavy Atoms:37
Chiral Atoms:1
ZAP Information [?]
Total:9.5203
Area:757.24
Solvation:-9.41071
Coulombic:-55.9192
Bond Count [?]
All:40
Single:27
Double:13
Rotors:12
Chiral:1
Rigid Segments:10
Chemical Properties
Molecular Weight:525.575
H-Bond Donors:1
H-Bond Acceptors:10
XLogP:4.04
LogP (Chemaxon):3.6

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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