4-hydroxy-5-[2-(3-phenyl-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-(3-phenyl-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-(3-phenyl-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: | Y505-2876 |
| Compound Name: | 4-hydroxy-5-[2-(3-phenyl-1H-pyrazol-4-yl)-2,3-dihydro-1H-1,5-benzodiazepin-4-yl]-2H-1,3-thiazine-2,6(3H)-dione |
| Molecular Weight: | 431.47 |
| Molecular Formula: | C22 H17 N5 O3 S |
| Smiles: | C1C(c2c[nH]nc2c2ccccc2)Nc2ccccc2N=C1C1=C(NC(=O)SC1=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.533 |
| logD: | -4.2138 |
| logSw: | -2.8868 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 98.063 |
| InChI Key: | STVWBHOOPSQOPX-INIZCTEOSA-N |