Chemical ID: 4455727

CCOc1ccc(cc1)NC(=O)CSc2nc3c(c(c(s3)C)C)c(=O)n2c4ccc(cc4)C
Chemical ID:
4455727
Name [?]:
2-[[7,8-dimethyl-5-oxo-4-(p-tolyl)-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-3-yl]sulfanyl]-N-(4-ethoxyphenyl)-acetamide
SMILES [?]:
CCOc1ccc(cc1)NC(=O)CSc2nc3c(c(c(s3)C)C)c(=O)n2c4ccc(cc4)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H25N3O3S2
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:13.5867
Area:718.304
Solvation:-4.37088
Coulombic:-51.184
Bond Count [?]
All:36
Single:25
Double:11
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:479.616
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.75
LogP (Chemaxon):5.72

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue