N-[(4-chlorophenyl)methyl]-4-(2,6-dimethyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-oxobutanamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-4-(2,6-dimethyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-oxobutanamide
N-[(4-chlorophenyl)methyl]-4-(2,6-dimethyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-oxobutanamide
Compound characteristics
Compound ID: | E015-0698 |
Compound Name: | N-[(4-chlorophenyl)methyl]-4-(2,6-dimethyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-oxobutanamide |
Molecular Weight: | 386.88 |
Molecular Formula: | C21 H23 Cl N2 O3 |
Smiles: | CC1CN(C(CCC(NCc2ccc(cc2)[Cl])=O)=O)c2cc(C)ccc2O1 |
Stereo: | RACEMIC MIXTURE |
logP: | 3.5454 |
logD: | 3.5454 |
logSw: | -3.8864 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 46.544 |
InChI Key: | TYZKBUPPDHADMX-OAHLLOKOSA-N |