N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methyl-1,1-dioxo-5-(thiophen-2-yl)-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-1,1-dioxo-5-(thiophen-2-yl)-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methyl-1,1-dioxo-5-(thiophen-2-yl)-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
Compound characteristics
| Compound ID: | E135-1193 |
| Compound Name: | N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methyl-1,1-dioxo-5-(thiophen-2-yl)-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide |
| Molecular Weight: | 450.56 |
| Molecular Formula: | C18 H18 N4 O4 S3 |
| Smiles: | CN1C(=CC(c2cccs2)=NS1(=O)=O)C(Nc1c(C(N)=O)c2CCCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6356 |
| logD: | -3.0426 |
| logSw: | -2.4678 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 103.111 |
| InChI Key: | FARUITSIXPJJGW-UHFFFAOYSA-N |