6-[4-(1-methyl-1H-pyrazole-5-carbonyl)piperazine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-[4-(1-methyl-1H-pyrazole-5-carbonyl)piperazine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
6-[4-(1-methyl-1H-pyrazole-5-carbonyl)piperazine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F537-0142 |
| Compound Name: | 6-[4-(1-methyl-1H-pyrazole-5-carbonyl)piperazine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 405.43 |
| Molecular Formula: | C17 H19 N5 O5 S |
| Smiles: | Cn1c(ccn1)C(N1CCN(CC1)S(c1ccc2c(c1)NC(CO2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.4417 |
| logD: | -0.4419 |
| logSw: | -2.3255 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.326 |
| InChI Key: | XSGPMFDGBKQYQW-UHFFFAOYSA-N |