[(3S)-3-methyl-7-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl](5-methylthiophen-2-yl)methanone
Chemical Structure Depiction of
[(3S)-3-methyl-7-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl](5-methylthiophen-2-yl)methanone
[(3S)-3-methyl-7-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl](5-methylthiophen-2-yl)methanone
Compound characteristics
| Compound ID: | S978-0328 |
| Compound Name: | [(3S)-3-methyl-7-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl](5-methylthiophen-2-yl)methanone |
| Molecular Weight: | 399.55 |
| Molecular Formula: | C22 H29 N3 O2 S |
| Smiles: | Cc1ccc(C(N2Cc3cc(CN4CCN(C)CC4)ccc3OC[C@@H]2C)=O)s1 |
| Stereo: | ABSOLUTE |
| logP: | 3.4028 |
| logD: | 2.6039 |
| logSw: | -3.5507 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 32.841 |
| InChI Key: | YDPMBHGPJVRKRZ-INIZCTEOSA-N |