1-{4-[7-{[(2-chlorophenyl)methoxy]methyl}-2,3-dihydro-1,4-benzoxazepine-4(5H)-sulfonyl]phenyl}ethan-1-one
Chemical Structure Depiction of
1-{4-[7-{[(2-chlorophenyl)methoxy]methyl}-2,3-dihydro-1,4-benzoxazepine-4(5H)-sulfonyl]phenyl}ethan-1-one
1-{4-[7-{[(2-chlorophenyl)methoxy]methyl}-2,3-dihydro-1,4-benzoxazepine-4(5H)-sulfonyl]phenyl}ethan-1-one
Compound characteristics
| Compound ID: | M012-0402 |
| Compound Name: | 1-{4-[7-{[(2-chlorophenyl)methoxy]methyl}-2,3-dihydro-1,4-benzoxazepine-4(5H)-sulfonyl]phenyl}ethan-1-one |
| Molecular Weight: | 485.99 |
| Molecular Formula: | C25 H24 Cl N O5 S |
| Smiles: | CC(c1ccc(cc1)S(N1CCOc2ccc(COCc3ccccc3[Cl])cc2C1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7187 |
| logD: | 4.7187 |
| logSw: | -4.8514 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.883 |
| InChI Key: | ATNAUWBCXPVBQP-UHFFFAOYSA-N |