methyl 4-[(6-chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)methyl]benzoate
Chemical Structure Depiction of
methyl 4-[(6-chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)methyl]benzoate
methyl 4-[(6-chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)methyl]benzoate
Compound characteristics
| Compound ID: | 8209-0540 |
| Compound Name: | methyl 4-[(6-chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)methyl]benzoate |
| Molecular Weight: | 331.75 |
| Molecular Formula: | C17 H14 Cl N O4 |
| Smiles: | COC(c1ccc(CN2C(COc3ccc(cc23)[Cl])=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4283 |
| logD: | 3.4283 |
| logSw: | -3.868 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.242 |
| InChI Key: | SAIHXDCMJJWRPP-UHFFFAOYSA-N |