N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-(2-methoxyphenyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
Chemical Structure Depiction of
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-(2-methoxyphenyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-(2-methoxyphenyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
Compound characteristics
| Compound ID: | E135-0472 |
| Compound Name: | N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-(2-methoxyphenyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide |
| Molecular Weight: | 442.51 |
| Molecular Formula: | C20 H18 N4 O4 S2 |
| Smiles: | CN1C(=CC(c2ccccc2OC)=NS1(=O)=O)C(Nc1c(C#N)c2CCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8148 |
| logD: | -2.9016 |
| logSw: | -3.8281 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.086 |
| InChI Key: | XWHLEZFXJQRULV-UHFFFAOYSA-N |