N-[(4-chlorophenyl)methyl]-1-(7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-1-(7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
N-[(4-chlorophenyl)methyl]-1-(7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | C885-0087 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-1-(7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide |
| Molecular Weight: | 417.92 |
| Molecular Formula: | C19 H20 Cl N5 O2 S |
| Smiles: | CC1=CC(N2C(=N1)SC(=N2)N1CCC(CC1)C(NCc1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.254 |
| logD: | 2.2501 |
| logSw: | -3.307 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.384 |
| InChI Key: | PGXBSLMVDBOQFP-UHFFFAOYSA-N |