9-(4-bromo-3-methylphenyl)-6-chloro-4-propyl-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
Chemical Structure Depiction of
9-(4-bromo-3-methylphenyl)-6-chloro-4-propyl-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
9-(4-bromo-3-methylphenyl)-6-chloro-4-propyl-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
Compound characteristics
| Compound ID: | Y043-7138 |
| Compound Name: | 9-(4-bromo-3-methylphenyl)-6-chloro-4-propyl-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one |
| Molecular Weight: | 448.74 |
| Molecular Formula: | C21 H19 Br Cl N O3 |
| Smiles: | CCCC1=CC(=O)Oc2c1cc(c1c2CN(CO1)c1ccc(c(C)c1)[Br])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.7914 |
| logD: | 6.7914 |
| logSw: | -6.3872 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.319 |
| InChI Key: | OHQTWVGZXCMQDS-UHFFFAOYSA-N |