12-chloro-3-[2-(3,4-dimethoxyphenyl)ethyl]-3,4,7,8,9,10-hexahydro-2H,6H-[2]benzopyrano[3,4-f][1,3]benzoxazin-6-one
Chemical Structure Depiction of
12-chloro-3-[2-(3,4-dimethoxyphenyl)ethyl]-3,4,7,8,9,10-hexahydro-2H,6H-[2]benzopyrano[3,4-f][1,3]benzoxazin-6-one
12-chloro-3-[2-(3,4-dimethoxyphenyl)ethyl]-3,4,7,8,9,10-hexahydro-2H,6H-[2]benzopyrano[3,4-f][1,3]benzoxazin-6-one
Compound characteristics
| Compound ID: | D144-0423 |
| Compound Name: | 12-chloro-3-[2-(3,4-dimethoxyphenyl)ethyl]-3,4,7,8,9,10-hexahydro-2H,6H-[2]benzopyrano[3,4-f][1,3]benzoxazin-6-one |
| Molecular Weight: | 455.94 |
| Molecular Formula: | C25 H26 Cl N O5 |
| Smiles: | COc1ccc(CCN2Cc3c4c(cc(c3OC2)[Cl])C2CCCCC=2C(=O)O4)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 5.2101 |
| logD: | 5.1206 |
| logSw: | -5.6113 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.273 |
| InChI Key: | NNSNYJFDQBIAGU-UHFFFAOYSA-N |