N-[4-(1,1-dioxo-1lambda~6~,2-thiazinan-2-yl)phenyl]-1-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide
Chemical Structure Depiction of
N-[4-(1,1-dioxo-1lambda~6~,2-thiazinan-2-yl)phenyl]-1-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide
N-[4-(1,1-dioxo-1lambda~6~,2-thiazinan-2-yl)phenyl]-1-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide
Compound characteristics
| Compound ID: | Y044-2193 |
| Compound Name: | N-[4-(1,1-dioxo-1lambda~6~,2-thiazinan-2-yl)phenyl]-1-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide |
| Molecular Weight: | 399.47 |
| Molecular Formula: | C19 H21 N5 O3 S |
| Smiles: | Cn1c(c(cn1)C(Nc1ccc(cc1)N1CCCCS1(=O)=O)=O)n1cccc1 |
| Stereo: | ACHIRAL |
| logP: | 1.9936 |
| logD: | 1.9936 |
| logSw: | -2.8057 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.277 |
| InChI Key: | PUPKJYPFOQZZDJ-UHFFFAOYSA-N |