1-{4-[7-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-sulfonyl]phenyl}ethan-1-one
Chemical Structure Depiction of
1-{4-[7-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-sulfonyl]phenyl}ethan-1-one
1-{4-[7-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-sulfonyl]phenyl}ethan-1-one
Compound characteristics
| Compound ID: | M250-1991 |
| Compound Name: | 1-{4-[7-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-sulfonyl]phenyl}ethan-1-one |
| Molecular Weight: | 444.51 |
| Molecular Formula: | C22 H24 N2 O6 S |
| Smiles: | CC(c1ccc(cc1)S(N1CCOc2ccc(cc2C1)C(N1CCOCC1)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4219 |
| logD: | 1.4219 |
| logSw: | -2.559 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 78.277 |
| InChI Key: | JKQNGKOHKBHBLT-UHFFFAOYSA-N |