Chemical ID: 4105978

c1ccc(cc1)N=C2N(C(=O)CC(S2)C(=O)Nc3ccc(cc3)C(=O)O)Cc4ccc5c(c4)OCO5
Chemical ID:
4105978
Name [?]:
4-[[3-(benzo[1,3]dioxol-5-ylmethyl)-4-oxo-2-phenylimino-1,3-thiazinan-6-yl]carbonylamino]benzoic acid
SMILES [?]:
c1ccc(cc1)N=C2N(C(=O)CC(S2)C(=O)Nc3ccc(cc3)C(=O)O)Cc4ccc5c(c4)OCO5
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C26H21N3O6S
All Atoms:36
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:11.7455
Area:711.102
Solvation:-6.03207
Coulombic:-86.3034
Bond Count [?]
All:40
Single:27
Double:13
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:503.528
H-Bond Donors:2
H-Bond Acceptors:9
XLogP:2.94
LogP (Chemaxon):4.5

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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