(3S)-4-(4-fluorobenzene-1-sulfonyl)-3-methyl-7-[(morpholin-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine
Chemical Structure Depiction of
(3S)-4-(4-fluorobenzene-1-sulfonyl)-3-methyl-7-[(morpholin-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine
(3S)-4-(4-fluorobenzene-1-sulfonyl)-3-methyl-7-[(morpholin-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine
Compound characteristics
| Compound ID: | S978-0216 |
| Compound Name: | (3S)-4-(4-fluorobenzene-1-sulfonyl)-3-methyl-7-[(morpholin-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine |
| Molecular Weight: | 420.5 |
| Molecular Formula: | C21 H25 F N2 O4 S |
| Smiles: | C[C@H]1COc2ccc(CN3CCOCC3)cc2CN1S(c1ccc(cc1)F)(=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.9204 |
| logD: | 2.8436 |
| logSw: | -3.2005 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.095 |
| InChI Key: | DAIMNLHGVARLHL-INIZCTEOSA-N |