Chemical ID: 6221420

CCOC(=O)c1c2c(sc1NC(=O)C(C)(C)C)CN(CC2)C(C)C
Chemical ID:
6221420
Name [?]:
ethyl 8-(2,2-dimethylpropanoylamino)-4-isopropyl-7-thia-4-azabicyclo[4.3.0]nona-8,10-diene-9-carboxylate
SMILES [?]:
CCOC(=O)c1c2c(sc1NC(=O)C(C)(C)C)CN(CC2)C(C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H28N2O3S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:11.3638
Area:575.577
Solvation:-3.02562
Coulombic:-44.9318
Bond Count [?]
All:25
Single:21
Double:4
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:352.493
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.18
LogP (Chemaxon):3.73

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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