8-(4-chlorophenyl)-3-[(4-methoxyphenyl)methyl]-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Chemical Structure Depiction of
8-(4-chlorophenyl)-3-[(4-methoxyphenyl)methyl]-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
8-(4-chlorophenyl)-3-[(4-methoxyphenyl)methyl]-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Compound characteristics
| Compound ID: | D006-0196 |
| Compound Name: | 8-(4-chlorophenyl)-3-[(4-methoxyphenyl)methyl]-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile |
| Molecular Weight: | 425.94 |
| Molecular Formula: | C22 H20 Cl N3 O2 S |
| Smiles: | COc1ccc(CN2CN3C(=C(C#N)C(CC3=O)c3ccc(cc3)[Cl])SC2)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.283 |
| logD: | 4.283 |
| logSw: | -4.7544 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.598 |
| InChI Key: | VDZYUFNKTKIBFL-IBGZPJMESA-N |