(3S)-3-methyl-4-(1-methyl-1H-imidazole-4-sulfonyl)-7-(pyridin-3-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
Chemical Structure Depiction of
(3S)-3-methyl-4-(1-methyl-1H-imidazole-4-sulfonyl)-7-(pyridin-3-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
(3S)-3-methyl-4-(1-methyl-1H-imidazole-4-sulfonyl)-7-(pyridin-3-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
Compound characteristics
| Compound ID: | SC09-0515 |
| Compound Name: | (3S)-3-methyl-4-(1-methyl-1H-imidazole-4-sulfonyl)-7-(pyridin-3-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine |
| Molecular Weight: | 384.46 |
| Molecular Formula: | C19 H20 N4 O3 S |
| Smiles: | C[C@H]1COc2ccc(cc2CN1S(c1cn(C)cn1)(=O)=O)c1cccnc1 |
| Stereo: | ABSOLUTE |
| logP: | 2.1205 |
| logD: | 2.1137 |
| logSw: | -2.4782 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.111 |
| InChI Key: | CSMMAUYSUMQGNI-AWEZNQCLSA-N |