6-chloro-9-[(3,4-dimethoxyphenyl)methyl]-3,4-dimethyl-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
Chemical Structure Depiction of
6-chloro-9-[(3,4-dimethoxyphenyl)methyl]-3,4-dimethyl-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
6-chloro-9-[(3,4-dimethoxyphenyl)methyl]-3,4-dimethyl-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
Compound characteristics
| Compound ID: | D144-0223 |
| Compound Name: | 6-chloro-9-[(3,4-dimethoxyphenyl)methyl]-3,4-dimethyl-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one |
| Molecular Weight: | 415.87 |
| Molecular Formula: | C22 H22 Cl N O5 |
| Smiles: | CC1=C(C)c2cc(c3c(CN(Cc4ccc(c(c4)OC)OC)CO3)c2OC1=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.467 |
| logD: | 3.843 |
| logSw: | -4.6779 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.374 |
| InChI Key: | XRGHTAARONPGJU-UHFFFAOYSA-N |