N-[2-(4-chlorophenyl)ethyl]-4-(2,6-dimethyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-oxobutanamide
Chemical Structure Depiction of
N-[2-(4-chlorophenyl)ethyl]-4-(2,6-dimethyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-oxobutanamide
N-[2-(4-chlorophenyl)ethyl]-4-(2,6-dimethyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-oxobutanamide
Compound characteristics
| Compound ID: | E015-0701 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-4-(2,6-dimethyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-oxobutanamide |
| Molecular Weight: | 400.9 |
| Molecular Formula: | C22 H25 Cl N2 O3 |
| Smiles: | CC1CN(C(CCC(NCCc2ccc(cc2)[Cl])=O)=O)c2cc(C)ccc2O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3201 |
| logD: | 3.3201 |
| logSw: | -3.7414 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.385 |
| InChI Key: | WTNGOIHBWOLWPY-MRXNPFEDSA-N |