3-(3-chloro-4-methylphenyl)-3,4,7,8,9,10-hexahydro-2H,6H-[2]benzopyrano[3,4-f][1,3]benzoxazin-6-one
Chemical Structure Depiction of
3-(3-chloro-4-methylphenyl)-3,4,7,8,9,10-hexahydro-2H,6H-[2]benzopyrano[3,4-f][1,3]benzoxazin-6-one
3-(3-chloro-4-methylphenyl)-3,4,7,8,9,10-hexahydro-2H,6H-[2]benzopyrano[3,4-f][1,3]benzoxazin-6-one
Compound characteristics
| Compound ID: | E754-0489 |
| Compound Name: | 3-(3-chloro-4-methylphenyl)-3,4,7,8,9,10-hexahydro-2H,6H-[2]benzopyrano[3,4-f][1,3]benzoxazin-6-one |
| Molecular Weight: | 381.86 |
| Molecular Formula: | C22 H20 Cl N O3 |
| Smiles: | Cc1ccc(cc1[Cl])N1Cc2c(ccc3C4CCCCC=4C(=O)Oc23)OC1 |
| Stereo: | ACHIRAL |
| logP: | 6.0285 |
| logD: | 6.0285 |
| logSw: | -6.0293 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.069 |
| InChI Key: | DBQKJCBKYZPQMC-UHFFFAOYSA-N |