Chemical ID: 5060033

CCOC(=O)C1=C(N=c2n(c(=O)c(=C(C)C)s2)C1c3ccc(cc3)N(C)C)C
Chemical ID:
5060033
Name [?]:
ethyl 5-(4-dimethylaminophenyl)-8-isopropylidene-3-methyl-7-oxo-9-thia-2,6-diazabicyclo[4.3.0]nona-1,3-diene-4-carboxylate
SMILES [?]:
CCOC(=O)C1=C(N=c2n(c(=O)c(=C(C)C)s2)C1c3ccc(cc3)N(C)C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H25N3O3S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:12.0219
Area:587.723
Solvation:-2.67114
Coulombic:-49.695
Bond Count [?]
All:30
Single:22
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:399.508
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.33
LogP (Chemaxon):3.41

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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