4-hydroxy-5-[2-(1-methyl-1H-pyrazol-4-yl)-2,3-dihydro-1H-1,5-benzodiazepin-4-yl]-2H-1,3-thiazine-2,6(3H)-dione
Chemical Structure Depiction of
4-hydroxy-5-[2-(1-methyl-1H-pyrazol-4-yl)-2,3-dihydro-1H-1,5-benzodiazepin-4-yl]-2H-1,3-thiazine-2,6(3H)-dione
4-hydroxy-5-[2-(1-methyl-1H-pyrazol-4-yl)-2,3-dihydro-1H-1,5-benzodiazepin-4-yl]-2H-1,3-thiazine-2,6(3H)-dione
Compound characteristics
| Compound ID: | Y505-2488 |
| Compound Name: | 4-hydroxy-5-[2-(1-methyl-1H-pyrazol-4-yl)-2,3-dihydro-1H-1,5-benzodiazepin-4-yl]-2H-1,3-thiazine-2,6(3H)-dione |
| Molecular Weight: | 369.4 |
| Molecular Formula: | C17 H15 N5 O3 S |
| Smiles: | Cn1cc(cn1)C1CC(C2=C(NC(=O)SC2=O)O)=Nc2ccccc2N1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.7164 |
| logD: | -6.0303 |
| logSw: | -2.0703 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.682 |
| InChI Key: | XQOSDVCIAQWUTN-LBPRGKRZSA-N |