2-(azepan-1-yl)-N-[(2-methoxyphenyl)methyl]-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
Chemical Structure Depiction of
2-(azepan-1-yl)-N-[(2-methoxyphenyl)methyl]-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
2-(azepan-1-yl)-N-[(2-methoxyphenyl)methyl]-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
Compound characteristics
Compound ID: | F149-0559 |
Compound Name: | 2-(azepan-1-yl)-N-[(2-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: | COc1ccccc1CNC(C1=CC(N=C2N1N=C(N1CCCCCC1)S2)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.9654 |
logD: | 2.6139 |
logSw: | -3.4721 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 73.388 |
InChI Key: | MWDOEGYRSHSKRQ-UHFFFAOYSA-N |