Chemical ID: 4195790

CCOC(=O)c1c2c(sc1NC(=O)C)CN(CC2)CCc3ccccc3
Chemical ID:
4195790
Name [?]:
ethyl 8-acetamido-4-phenethyl-7-thia-4-azabicyclo[4.3.0]nona-8,10-diene-9-carboxylate
SMILES [?]:
CCOC(=O)c1c2c(sc1NC(=O)C)CN(CC2)CCc3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H24N2O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:11.5847
Area:609.572
Solvation:-3.65458
Coulombic:-44.7178
Bond Count [?]
All:28
Single:21
Double:7
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:372.482
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.42
LogP (Chemaxon):3.15

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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