3-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-2H,6H-[2]benzopyrano[3,4-f][1,3]benzoxazin-6-one
Chemical Structure Depiction of
3-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-2H,6H-[2]benzopyrano[3,4-f][1,3]benzoxazin-6-one
3-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-2H,6H-[2]benzopyrano[3,4-f][1,3]benzoxazin-6-one
Compound characteristics
| Compound ID: | D144-0234 |
| Compound Name: | 3-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-2H,6H-[2]benzopyrano[3,4-f][1,3]benzoxazin-6-one |
| Molecular Weight: | 403.43 |
| Molecular Formula: | C24 H21 N O5 |
| Smiles: | COc1ccc(CN2Cc3c(ccc4c5ccccc5C(=O)Oc34)OC2)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.676 |
| logD: | 3.3889 |
| logSw: | -4.9549 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.418 |
| InChI Key: | NJVDDQXRHJZGQB-UHFFFAOYSA-N |