9-[(2H-1,3-benzodioxol-5-yl)methyl]-6-chloro-3,4-dimethyl-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
Chemical Structure Depiction of
9-[(2H-1,3-benzodioxol-5-yl)methyl]-6-chloro-3,4-dimethyl-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
9-[(2H-1,3-benzodioxol-5-yl)methyl]-6-chloro-3,4-dimethyl-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
Compound characteristics
| Compound ID: | D144-0276 |
| Compound Name: | 9-[(2H-1,3-benzodioxol-5-yl)methyl]-6-chloro-3,4-dimethyl-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one |
| Molecular Weight: | 399.83 |
| Molecular Formula: | C21 H18 Cl N O5 |
| Smiles: | CC1=C(C)c2cc(c3c(CN(Cc4ccc5c(c4)OCO5)CO3)c2OC1=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.7652 |
| logD: | 4.1412 |
| logSw: | -4.9135 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.229 |
| InChI Key: | XCTBICTVGGGCOV-UHFFFAOYSA-N |