Chemical ID: 4159240

Cc1ccccc1Cn2cnc3c(c2=O)c(cs3)c4ccc(cc4)OC
Chemical ID:
4159240
Name [?]:
7-(4-methoxyphenyl)-4-(o-tolylmethyl)-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-5-one
SMILES [?]:
Cc1ccccc1Cn2cnc3c(c2=O)c(cs3)c4ccc(cc4)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H18N2O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.1517
Area:551.472
Solvation:-3.63514
Coulombic:-31.3128
Bond Count [?]
All:29
Single:19
Double:10
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:362.446
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.11
LogP (Chemaxon):4.64

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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