N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
Chemical Structure Depiction of
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
Compound characteristics
| Compound ID: | E135-0194 |
| Compound Name: | N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide |
| Molecular Weight: | 458.56 |
| Molecular Formula: | C21 H22 N4 O4 S2 |
| Smiles: | Cc1ccc(cc1)C1C=C(C(Nc2c(C(N)=O)c3CCCCc3s2)=O)N(C)S(N=1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2398 |
| logD: | -2.4153 |
| logSw: | -2.887 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 102.092 |
| InChI Key: | QTTKFYJUFFFZKO-UHFFFAOYSA-N |