Chemical ID: 6839088

CCOC(=O)c1c(c2c(s1)ncn(c2=O)CCOc3ccccc3)C
Chemical ID:
6839088
Name [?]:
ethyl 9-methyl-2-oxo-3-(2-phenoxyethyl)-7-thia-3,5-diazabicyclo[4.3.0]nona-4,8,10-triene-8-carboxylate
SMILES [?]:
CCOC(=O)c1c(c2c(s1)ncn(c2=O)CCOc3ccccc3)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H18N2O4S
All Atoms:43
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.64807
Area:566.394
Solvation:-4.51178
Coulombic:-48.8437
Bond Count [?]
All:27
Single:19
Double:8
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:358.413
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.01
LogP (Chemaxon):2.68

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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