N-[(4-chlorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]-7-oxoazepane-2-carboxamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]-7-oxoazepane-2-carboxamide
N-[(4-chlorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]-7-oxoazepane-2-carboxamide
Compound characteristics
| Compound ID: | S513-0462 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]-7-oxoazepane-2-carboxamide |
| Molecular Weight: | 400.9 |
| Molecular Formula: | C22 H25 Cl N2 O3 |
| Smiles: | COc1cccc(CN2C(CCCCC2=O)C(NCc2ccc(cc2)[Cl])=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3412 |
| logD: | 3.3412 |
| logSw: | -3.8114 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.936 |
| InChI Key: | MSFVTPNTCAXZIN-FQEVSTJZSA-N |