4-{[4-(bromomethyl)-4,5-dihydro-1,3-thiazol-2-yl]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one--hydrogen bromide (1/1)
Chemical Structure Depiction of
4-{[4-(bromomethyl)-4,5-dihydro-1,3-thiazol-2-yl]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one--hydrogen bromide (1/1)
4-{[4-(bromomethyl)-4,5-dihydro-1,3-thiazol-2-yl]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 8010-4067 |
| Compound Name: | 4-{[4-(bromomethyl)-4,5-dihydro-1,3-thiazol-2-yl]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one--hydrogen bromide (1/1) |
| Molecular Weight: | 462.2 |
| Molecular Formula: | C15 H17 Br N4 O S |
| Salt: | HBr |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)NC1=NC(CS1)C[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7992 |
| logD: | 1.547 |
| logSw: | -2.2747 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.415 |
| InChI Key: | HRCSOAVLERSCHS-NSHDSACASA-N |