(3S)-4-[(5-bromofuran-2-yl)methyl]-3-methyl-7-(pyridin-3-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
Chemical Structure Depiction of
(3S)-4-[(5-bromofuran-2-yl)methyl]-3-methyl-7-(pyridin-3-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
(3S)-4-[(5-bromofuran-2-yl)methyl]-3-methyl-7-(pyridin-3-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
Compound characteristics
| Compound ID: | SC09-0520 |
| Compound Name: | (3S)-4-[(5-bromofuran-2-yl)methyl]-3-methyl-7-(pyridin-3-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine |
| Molecular Weight: | 399.29 |
| Molecular Formula: | C20 H19 Br N2 O2 |
| Smiles: | C[C@H]1COc2ccc(cc2CN1Cc1ccc(o1)[Br])c1cccnc1 |
| Stereo: | ABSOLUTE |
| logP: | 4.3169 |
| logD: | 4.2749 |
| logSw: | -4.0997 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 29.2065 |
| InChI Key: | NBDBRJQWVMMOIX-AWEZNQCLSA-N |