1-{4-[7-{[(4-fluorophenyl)methoxy]methyl}-2,3-dihydro-1,4-benzoxazepine-4(5H)-sulfonyl]phenyl}ethan-1-one
Chemical Structure Depiction of
1-{4-[7-{[(4-fluorophenyl)methoxy]methyl}-2,3-dihydro-1,4-benzoxazepine-4(5H)-sulfonyl]phenyl}ethan-1-one
1-{4-[7-{[(4-fluorophenyl)methoxy]methyl}-2,3-dihydro-1,4-benzoxazepine-4(5H)-sulfonyl]phenyl}ethan-1-one
Compound characteristics
| Compound ID: | M012-0181 |
| Compound Name: | 1-{4-[7-{[(4-fluorophenyl)methoxy]methyl}-2,3-dihydro-1,4-benzoxazepine-4(5H)-sulfonyl]phenyl}ethan-1-one |
| Molecular Weight: | 469.53 |
| Molecular Formula: | C25 H24 F N O5 S |
| Smiles: | CC(c1ccc(cc1)S(N1CCOc2ccc(COCc3ccc(cc3)F)cc2C1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1127 |
| logD: | 4.1127 |
| logSw: | -4.3053 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.883 |
| InChI Key: | ACRCMPQEHLZURF-UHFFFAOYSA-N |