N-[2-(4-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-3-phenylprop-2-enamide
Chemical Structure Depiction of
N-[2-(4-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-3-phenylprop-2-enamide
N-[2-(4-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-3-phenylprop-2-enamide
Compound characteristics
| Compound ID: | K410-0437 |
| Compound Name: | N-[2-(4-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-3-phenylprop-2-enamide |
| Molecular Weight: | 413.88 |
| Molecular Formula: | C20 H16 Cl N3 O3 S |
| Smiles: | C1c2c(CS1(=O)=O)nn(c1ccc(cc1)[Cl])c2NC(/C=C\c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4259 |
| logD: | 3.4259 |
| logSw: | -3.9947 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.488 |
| InChI Key: | VHRJHUJNYNSWRR-UHFFFAOYSA-N |