(3S)-3-methyl-4-[(3-methylthiophen-2-yl)methyl]-7-(pyridin-4-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
Chemical Structure Depiction of
(3S)-3-methyl-4-[(3-methylthiophen-2-yl)methyl]-7-(pyridin-4-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
(3S)-3-methyl-4-[(3-methylthiophen-2-yl)methyl]-7-(pyridin-4-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
Compound characteristics
| Compound ID: | SC09-0386 |
| Compound Name: | (3S)-3-methyl-4-[(3-methylthiophen-2-yl)methyl]-7-(pyridin-4-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine |
| Molecular Weight: | 350.48 |
| Molecular Formula: | C21 H22 N2 O S |
| Smiles: | Cc1ccsc1CN1Cc2cc(ccc2OC[C@@H]1C)c1ccncc1 |
| Stereo: | ABSOLUTE |
| logP: | 4.7266 |
| logD: | 4.5892 |
| logSw: | -4.5783 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 22.0389 |
| InChI Key: | LGKSPPQBIUCAIZ-INIZCTEOSA-N |