3-[(4-methoxyphenyl)methyl]-3,4,8,9,10,11-hexahydro-2H-cyclohepta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one
Chemical Structure Depiction of
3-[(4-methoxyphenyl)methyl]-3,4,8,9,10,11-hexahydro-2H-cyclohepta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one
3-[(4-methoxyphenyl)methyl]-3,4,8,9,10,11-hexahydro-2H-cyclohepta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one
Compound characteristics
| Compound ID: | D144-0031 |
| Compound Name: | 3-[(4-methoxyphenyl)methyl]-3,4,8,9,10,11-hexahydro-2H-cyclohepta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one |
| Molecular Weight: | 391.47 |
| Molecular Formula: | C24 H25 N O4 |
| Smiles: | COc1ccc(CN2Cc3c(ccc4C5CCCCCC=5C(=O)Oc34)OC2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.0781 |
| logD: | 4.9748 |
| logSw: | -4.7408 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.224 |
| InChI Key: | UDDAYTWZDAQAJE-UHFFFAOYSA-N |