N-[2-(4-chlorophenyl)ethyl]-4-(4-oxo-2-sulfanylidene-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)butanamide
Chemical Structure Depiction of
N-[2-(4-chlorophenyl)ethyl]-4-(4-oxo-2-sulfanylidene-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)butanamide
N-[2-(4-chlorophenyl)ethyl]-4-(4-oxo-2-sulfanylidene-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)butanamide
Compound characteristics
| Compound ID: | K292-1441 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-4-(4-oxo-2-sulfanylidene-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)butanamide |
| Molecular Weight: | 407.94 |
| Molecular Formula: | C18 H18 Cl N3 O2 S2 |
| Smiles: | C(CC(NCCc1ccc(cc1)[Cl])=O)CN1C(c2c(ccs2)NC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3998 |
| logD: | 2.3992 |
| logSw: | -3.3497 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.628 |
| InChI Key: | NFPUEBHUDPQKLH-UHFFFAOYSA-N |