N-[(2-fluorophenyl)methyl]-4-[(5-methylthiophen-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Chemical Structure Depiction of
N-[(2-fluorophenyl)methyl]-4-[(5-methylthiophen-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
N-[(2-fluorophenyl)methyl]-4-[(5-methylthiophen-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Compound characteristics
| Compound ID: | M400-0149 |
| Compound Name: | N-[(2-fluorophenyl)methyl]-4-[(5-methylthiophen-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide |
| Molecular Weight: | 410.51 |
| Molecular Formula: | C23 H23 F N2 O2 S |
| Smiles: | Cc1ccc(CN2CCOc3ccc(cc3C2)C(NCc2ccccc2F)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.7495 |
| logD: | 4.2847 |
| logSw: | -4.5189 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.347 |
| InChI Key: | NAOYCKBFZIXANJ-UHFFFAOYSA-N |