2-(azepan-1-yl)-N-[(3-methoxyphenyl)methyl]-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide

Chemical Structure Depiction of
2-(azepan-1-yl)-N-[(3-methoxyphenyl)methyl]-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
Available: 110 mg
Amount:
mg
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Compound characteristics

Compound ID: F149-0560
Compound Name: 2-(azepan-1-yl)-N-[(3-methoxyphenyl)methyl]-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
Molecular Weight: 413.5
Molecular Formula: C20 H23 N5 O3 S
Smiles: COc1cccc(CNC(C2=CC(N=C3N2N=C(N2CCCCCC2)S3)=O)=O)c1
Stereo: ACHIRAL
logP: 2.8414
logD: 2.6662
logSw: -3.4506
Hydrogen bond acceptors count: 8
Hydrogen bond donors count: 1
Polar surface area: 73.301
InChI Key: YDHQHTKRCCFLRE-UHFFFAOYSA-N
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