N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-(5-oxo-6,7,8,9-tetrahydro-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)piperidine-3-carboxamide
Chemical Structure Depiction of
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-(5-oxo-6,7,8,9-tetrahydro-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)piperidine-3-carboxamide
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-(5-oxo-6,7,8,9-tetrahydro-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)piperidine-3-carboxamide
Compound characteristics
| Compound ID: | L244-0163 |
| Compound Name: | N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-(5-oxo-6,7,8,9-tetrahydro-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)piperidine-3-carboxamide |
| Molecular Weight: | 497.62 |
| Molecular Formula: | C25 H31 N5 O4 S |
| Smiles: | CCOc1ccc(CNC(C2CCCN(C2)C2=NN3C(=NC4CCCCC=4C3=O)S2)=O)cc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3876 |
| logD: | 2.3867 |
| logSw: | -2.8341 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.996 |
| InChI Key: | VNSIUDWNEWIFGJ-KRWDZBQOSA-N |