Chemical ID: 6898132

Cc1ccc(cc1)OCCn2cnc3c(c2=O)c(cs3)c4ccccc4
Chemical ID:
6898132
Name [?]:
4-[2-(4-methylphenoxy)ethyl]-7-phenyl-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-5-one
SMILES [?]:
Cc1ccc(cc1)OCCn2cnc3c(c2=O)c(cs3)c4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H18N2O2S
All Atoms:44
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.9876
Area:562.828
Solvation:-3.08312
Coulombic:-32.2592
Bond Count [?]
All:29
Single:19
Double:10
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:362.446
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.21
LogP (Chemaxon):4.73

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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