3-[(4-methylphenyl)methyl]-3,4,7,8,9,10-hexahydro-2H,6H-[2]benzopyrano[3,4-f][1,3]benzoxazin-6-one
Chemical Structure Depiction of
3-[(4-methylphenyl)methyl]-3,4,7,8,9,10-hexahydro-2H,6H-[2]benzopyrano[3,4-f][1,3]benzoxazin-6-one
3-[(4-methylphenyl)methyl]-3,4,7,8,9,10-hexahydro-2H,6H-[2]benzopyrano[3,4-f][1,3]benzoxazin-6-one
Compound characteristics
| Compound ID: | E754-0637 |
| Compound Name: | 3-[(4-methylphenyl)methyl]-3,4,7,8,9,10-hexahydro-2H,6H-[2]benzopyrano[3,4-f][1,3]benzoxazin-6-one |
| Molecular Weight: | 361.44 |
| Molecular Formula: | C23 H23 N O3 |
| Smiles: | Cc1ccc(CN2Cc3c(ccc4C5CCCCC=5C(=O)Oc34)OC2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.0232 |
| logD: | 4.5917 |
| logSw: | -4.5795 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.349 |
| InChI Key: | XYMSSWJCXBHDON-UHFFFAOYSA-N |