N-[(2-fluorophenyl)methyl]-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Chemical Structure Depiction of
N-[(2-fluorophenyl)methyl]-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
N-[(2-fluorophenyl)methyl]-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Compound characteristics
| Compound ID: | M400-0160 |
| Compound Name: | N-[(2-fluorophenyl)methyl]-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide |
| Molecular Weight: | 411.5 |
| Molecular Formula: | C22 H22 F N3 O2 S |
| Smiles: | Cc1c(CN2CCOc3ccc(cc3C2)C(NCc2ccccc2F)=O)scn1 |
| Stereo: | ACHIRAL |
| logP: | 3.6664 |
| logD: | 3.5604 |
| logSw: | -3.9115 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.534 |
| InChI Key: | PFFQZSDKDVMNNQ-UHFFFAOYSA-N |