3-benzyl-6-chloro-4-methyl-9-[(4-methylphenyl)methyl]-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
Chemical Structure Depiction of
3-benzyl-6-chloro-4-methyl-9-[(4-methylphenyl)methyl]-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
3-benzyl-6-chloro-4-methyl-9-[(4-methylphenyl)methyl]-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
Compound characteristics
| Compound ID: | D144-0102 |
| Compound Name: | 3-benzyl-6-chloro-4-methyl-9-[(4-methylphenyl)methyl]-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one |
| Molecular Weight: | 445.95 |
| Molecular Formula: | C27 H24 Cl N O3 |
| Smiles: | CC1=C(Cc2ccccc2)C(=O)Oc2c1cc(c1c2CN(Cc2ccc(C)cc2)CO1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.7548 |
| logD: | 6.5178 |
| logSw: | -6.2774 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 32.841 |
| InChI Key: | KLALAEBYRUEWNC-UHFFFAOYSA-N |