Chemical ID: 5543265

COc1ccc(cc1)CN2C(=O)CC(SC2=Nc3ccc(cc3)OC)C(=O)Nc4ccc(cc4)C(=O)O
Chemical ID:
5543265
Name [?]:
4-[[2-(4-methoxyphenyl)imino-3-[(4-methoxyphenyl)methyl]-4-oxo-1,3-thiazinan-6-yl]carbonylamino]benzoic acid
SMILES [?]:
COc1ccc(cc1)CN2C(=O)CC(SC2=Nc3ccc(cc3)OC)C(=O)Nc4ccc(cc4)C(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H25N3O6S
All Atoms:37
Heavy Atoms:37
Chiral Atoms:1
ZAP Information [?]
Total:11.5009
Area:747.873
Solvation:-7.19588
Coulombic:-83.6135
Bond Count [?]
All:40
Single:27
Double:13
Rotors:9
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:519.57
H-Bond Donors:2
H-Bond Acceptors:9
XLogP:3.01
LogP (Chemaxon):4.09

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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