(3S)-4-(4-fluoro-3-methylbenzene-1-sulfonyl)-3-methyl-7-[(4-methylpiperazin-1-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine
Chemical Structure Depiction of
(3S)-4-(4-fluoro-3-methylbenzene-1-sulfonyl)-3-methyl-7-[(4-methylpiperazin-1-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine
(3S)-4-(4-fluoro-3-methylbenzene-1-sulfonyl)-3-methyl-7-[(4-methylpiperazin-1-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine
Compound characteristics
| Compound ID: | S978-0337 |
| Compound Name: | (3S)-4-(4-fluoro-3-methylbenzene-1-sulfonyl)-3-methyl-7-[(4-methylpiperazin-1-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine |
| Molecular Weight: | 447.57 |
| Molecular Formula: | C23 H30 F N3 O3 S |
| Smiles: | Cc1cc(ccc1F)S(N1Cc2cc(CN3CCN(C)CC3)ccc2OC[C@@H]1C)(=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.3 |
| logD: | 2.5011 |
| logSw: | -3.5191 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 47.663 |
| InChI Key: | KFTFKQZLPDDJIW-SFHVURJKSA-N |