1-(4-methylphenyl)-3-[4-(prop-2-en-1-yl)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-(prop-2-en-1-yl)piperazine-1-carbonyl]-4lambda~6~-pyrido[2,3-e][1,3,4]thiadiazine-4,4(1H)-dione
1-(4-methylphenyl)-3-[4-(prop-2-en-1-yl)piperazine-1-carbonyl]-4lambda~6~-pyrido[2,3-e][1,3,4]thiadiazine-4,4(1H)-dione
Compound characteristics
| Compound ID: | M789-0096 |
| Compound Name: | 1-(4-methylphenyl)-3-[4-(prop-2-en-1-yl)piperazine-1-carbonyl]-4lambda~6~-pyrido[2,3-e][1,3,4]thiadiazine-4,4(1H)-dione |
| Molecular Weight: | 425.51 |
| Molecular Formula: | C21 H23 N5 O3 S |
| Smiles: | Cc1ccc(cc1)N1c2c(cccn2)S(C(C(N2CCN(CC2)CC=C)=O)=N1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8343 |
| logD: | 1.8298 |
| logSw: | -2.2524 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.04 |
| InChI Key: | NIORMJRPKJAXGH-UHFFFAOYSA-N |