3-[(4-chlorophenyl)methyl]-7-ethyl-6,10-dimethyl-3,4-dihydro-2H,8H-pyrano[3,2-g][1,3]benzoxazin-8-one
Chemical Structure Depiction of
3-[(4-chlorophenyl)methyl]-7-ethyl-6,10-dimethyl-3,4-dihydro-2H,8H-pyrano[3,2-g][1,3]benzoxazin-8-one
3-[(4-chlorophenyl)methyl]-7-ethyl-6,10-dimethyl-3,4-dihydro-2H,8H-pyrano[3,2-g][1,3]benzoxazin-8-one
Compound characteristics
| Compound ID: | D144-0537 |
| Compound Name: | 3-[(4-chlorophenyl)methyl]-7-ethyl-6,10-dimethyl-3,4-dihydro-2H,8H-pyrano[3,2-g][1,3]benzoxazin-8-one |
| Molecular Weight: | 383.87 |
| Molecular Formula: | C22 H22 Cl N O3 |
| Smiles: | CCC1=C(C)c2cc3CN(Cc4ccc(cc4)[Cl])COc3c(C)c2OC1=O |
| Stereo: | ACHIRAL |
| logP: | 5.4428 |
| logD: | 5.0132 |
| logSw: | -5.8888 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.113 |
| InChI Key: | NBRDTFQRQWKAOX-UHFFFAOYSA-N |