Chemical ID: 5482579

CCOC(=O)c1c(c(sc1N)C(=O)NC)COC(=O)C=Cc2ccccc2OC
Chemical ID:
5482579
Name [?]:
ethyl 2-amino-4-[3-(2-methoxyphenyl)prop-2-enoyloxymethyl]-5-(methylcarbamoyl)thiophene-3-carboxylate
SMILES [?]:
CCOC(=O)c1c(c(sc1N)C(=O)NC)COC(=O)C=Cc2ccccc2OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H22N2O6S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.0247
Area:640.107
Solvation:-4.97802
Coulombic:-84.6385
Bond Count [?]
All:30
Single:21
Double:9
Rotors:11
Chiral:1
Rigid Segments:10
Chemical Properties
Molecular Weight:418.465
H-Bond Donors:3
H-Bond Acceptors:8
XLogP:2.08
LogP (Chemaxon):1.7

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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