1-(4-methylphenyl)-3-[4-(2-methylpropyl)piperazine-1-carbonyl]-4lambda~6~-pyrido[2,3-e][1,3,4]thiadiazine-4,4(1H)-dione
Chemical Structure Depiction of
1-(4-methylphenyl)-3-[4-(2-methylpropyl)piperazine-1-carbonyl]-4lambda~6~-pyrido[2,3-e][1,3,4]thiadiazine-4,4(1H)-dione
1-(4-methylphenyl)-3-[4-(2-methylpropyl)piperazine-1-carbonyl]-4lambda~6~-pyrido[2,3-e][1,3,4]thiadiazine-4,4(1H)-dione
Compound characteristics
| Compound ID: | M789-0099 |
| Compound Name: | 1-(4-methylphenyl)-3-[4-(2-methylpropyl)piperazine-1-carbonyl]-4lambda~6~-pyrido[2,3-e][1,3,4]thiadiazine-4,4(1H)-dione |
| Molecular Weight: | 441.55 |
| Molecular Formula: | C22 H27 N5 O3 S |
| Smiles: | CC(C)CN1CCN(CC1)C(C1=NN(c2ccc(C)cc2)c2c(cccn2)S1(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.509 |
| logD: | 2.4847 |
| logSw: | -2.5344 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.061 |
| InChI Key: | KUZSNFKFTJPOIT-UHFFFAOYSA-N |