N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5-(thiophen-2-yl)-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5-(thiophen-2-yl)-1H-pyrazole-3-carboxamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5-(thiophen-2-yl)-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | D627-0116 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5-(thiophen-2-yl)-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 445.51 |
| Molecular Formula: | C20 H19 N3 O5 S2 |
| Smiles: | C1CS(CC1n1c(cc(C(Nc2ccc3c(c2)OCCO3)=O)n1)c1cccs1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4005 |
| logD: | 1.4005 |
| logSw: | -2.4464 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.264 |
| InChI Key: | IIBYDCMTZBQTPS-CQSZACIVSA-N |