7-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | C679-3466 |
| Compound Name: | 7-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 405.94 |
| Molecular Formula: | C17 H12 Cl N3 O S3 |
| Smiles: | C(C1=CC(N2C(=N1)SC(c1cccs1)=N2)=O)SCc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.5537 |
| logD: | 4.5537 |
| logSw: | -4.8489 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.018 |
| InChI Key: | MFDYJCZRZMPWOM-UHFFFAOYSA-N |