Chemical ID: 4424726

CCOC(=O)Cc1csc(n1)NC(=O)CSc2nc3c(c(c(s3)C)C)c(=O)n2C
Chemical ID:
4424726
Name [?]:
ethyl 2-[2-[2-[(4,7,8-trimethyl-5-oxo-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-3-yl)sulfanyl]acetyl]aminothiazol-4-yl]acetate
SMILES [?]:
CCOC(=O)Cc1csc(n1)NC(=O)CSc2nc3c(c(c(s3)C)C)c(=O)n2C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H20N4O4S3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.0533
Area:676.216
Solvation:-4.85205
Coulombic:-64.7052
Bond Count [?]
All:31
Single:23
Double:8
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:452.574
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:0.48
LogP (Chemaxon):3.41

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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