4-(methoxycarbonyl)phenyl 2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]-3-methyl-4-oxo-3,4-dihydro-2H-1,3-thiazine-6-carboxylate
Chemical Structure Depiction of
4-(methoxycarbonyl)phenyl 2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]-3-methyl-4-oxo-3,4-dihydro-2H-1,3-thiazine-6-carboxylate
4-(methoxycarbonyl)phenyl 2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]-3-methyl-4-oxo-3,4-dihydro-2H-1,3-thiazine-6-carboxylate
Compound characteristics
| Compound ID: | 8015-5561 |
| Compound Name: | 4-(methoxycarbonyl)phenyl 2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]-3-methyl-4-oxo-3,4-dihydro-2H-1,3-thiazine-6-carboxylate |
| Molecular Weight: | 506.54 |
| Molecular Formula: | C25 H22 N4 O6 S |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)/N=C1/N(C)C(C=C(C(=O)Oc2ccc(cc2)C(=O)OC)S1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.497 |
| logD: | 2.497 |
| logSw: | -2.532 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 87.018 |
| InChI Key: | WLYWSSGVLKBEAG-UHFFFAOYSA-N |