Chemical ID: 4805617

CC1C(C(=O)N(C1=O)c2nc3cc(ccc3s2)OC)Cc4ccc(cc4)Cl
Chemical ID:
4805617
Name [?]:
3-[(4-chlorophenyl)methyl]-1-(5-methoxybenzothiazol-2-yl)-4-methyl-pyrrolidine-2,5-dione
SMILES [?]:
CC1C(C(=O)N(C1=O)c2nc3cc(ccc3s2)OC)Cc4ccc(cc4)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H17ClN2O3S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:2
ZAP Information [?]
Total:10.0339
Area:591.495
Solvation:-4.75344
Coulombic:-37.4626
Bond Count [?]
All:30
Single:21
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:400.879
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.22
LogP (Chemaxon):4.89

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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