9-[(2H-1,3-benzodioxol-5-yl)methyl]-6-chloro-4-phenyl-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-4-phenyl-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
9-[(2H-1,3-benzodioxol-5-yl)methyl]-6-chloro-4-phenyl-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
Compound characteristics
| Compound ID: | D144-0280 |
| Compound Name: | 9-[(2H-1,3-benzodioxol-5-yl)methyl]-6-chloro-4-phenyl-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one |
| Molecular Weight: | 447.87 |
| Molecular Formula: | C25 H18 Cl N O5 |
| Smiles: | C(c1ccc2c(c1)OCO2)N1Cc2c3c(cc(c2OC1)[Cl])C(=CC(=O)O3)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.2509 |
| logD: | 5.11 |
| logSw: | -5.7726 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.443 |
| InChI Key: | CDOHCYIUPLJUID-UHFFFAOYSA-N |