ethyl 5-{3-[(4-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-carbonyl)amino]phenyl}-1-(2-methylphenyl)-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-{3-[(4-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-carbonyl)amino]phenyl}-1-(2-methylphenyl)-1H-pyrazole-3-carboxylate
ethyl 5-{3-[(4-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-carbonyl)amino]phenyl}-1-(2-methylphenyl)-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | V031-2797 |
| Compound Name: | ethyl 5-{3-[(4-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-carbonyl)amino]phenyl}-1-(2-methylphenyl)-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 496.57 |
| Molecular Formula: | C29 H28 N4 O4 |
| Salt: | not_available |
| Smiles: | CCOC(c1cc(c2cccc(c2)NC(c2ccc3c(c2)OCCN3C)=O)n(c2ccccc2C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.598 |
| logD: | 5.598 |
| logSw: | -5.3908 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.106 |
| InChI Key: | JNHDJRUONRWIAW-UHFFFAOYSA-N |