ethyl 1-(4-fluorophenyl)-5-{4-[4-(4-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-carbonyl)piperazin-1-yl]phenyl}-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
ethyl 1-(4-fluorophenyl)-5-{4-[4-(4-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-carbonyl)piperazin-1-yl]phenyl}-1H-pyrazole-3-carboxylate
ethyl 1-(4-fluorophenyl)-5-{4-[4-(4-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-carbonyl)piperazin-1-yl]phenyl}-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | V001-9419 |
| Compound Name: | ethyl 1-(4-fluorophenyl)-5-{4-[4-(4-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-carbonyl)piperazin-1-yl]phenyl}-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 569.64 |
| Molecular Formula: | C32 H32 F N5 O4 |
| Salt: | not_available |
| Smiles: | CCOC(c1cc(c2ccc(cc2)N2CCN(CC2)C(c2ccc3c(c2)OCCN3C)=O)n(c2ccc(cc2)F)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.819 |
| logD: | 4.819 |
| logSw: | -4.6041 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.225 |
| InChI Key: | DFFSVEWLJXJUBJ-UHFFFAOYSA-N |