5-[2-(1,3-dimethyl-1H-pyrazol-5-yl)-2,3-dihydro-1H-1,5-benzodiazepin-4-yl]-4-hydroxy-2H-1,3-thiazine-2,6(3H)-dione
Chemical Structure Depiction of
5-[2-(1,3-dimethyl-1H-pyrazol-5-yl)-2,3-dihydro-1H-1,5-benzodiazepin-4-yl]-4-hydroxy-2H-1,3-thiazine-2,6(3H)-dione
5-[2-(1,3-dimethyl-1H-pyrazol-5-yl)-2,3-dihydro-1H-1,5-benzodiazepin-4-yl]-4-hydroxy-2H-1,3-thiazine-2,6(3H)-dione
Compound characteristics
| Compound ID: | Y505-7233 |
| Compound Name: | 5-[2-(1,3-dimethyl-1H-pyrazol-5-yl)-2,3-dihydro-1H-1,5-benzodiazepin-4-yl]-4-hydroxy-2H-1,3-thiazine-2,6(3H)-dione |
| Molecular Weight: | 383.43 |
| Molecular Formula: | C18 H17 N5 O3 S |
| Smiles: | Cc1cc(C2CC(C3=C(NC(=O)SC3=O)O)=Nc3ccccc3N2)n(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.8809 |
| logD: | -5.8659 |
| logSw: | -2.244 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.195 |
| InChI Key: | GRUZRNHYMXDRND-LBPRGKRZSA-N |