6-chloro-3,4-dimethyl-9-[(4-methylphenyl)methyl]-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
Chemical Structure Depiction of
6-chloro-3,4-dimethyl-9-[(4-methylphenyl)methyl]-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
6-chloro-3,4-dimethyl-9-[(4-methylphenyl)methyl]-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
Compound characteristics
| Compound ID: | D144-0003 |
| Compound Name: | 6-chloro-3,4-dimethyl-9-[(4-methylphenyl)methyl]-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one |
| Molecular Weight: | 369.85 |
| Molecular Formula: | C21 H20 Cl N O3 |
| Smiles: | CC1=C(C)c2cc(c3c(CN(Cc4ccc(C)cc4)CO3)c2OC1=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.3174 |
| logD: | 5.0804 |
| logSw: | -5.9366 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.113 |
| InChI Key: | VLEIHMCXXLCCKI-UHFFFAOYSA-N |