7-[(azepan-1-yl)methyl]-4-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
Chemical Structure Depiction of
7-[(azepan-1-yl)methyl]-4-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
7-[(azepan-1-yl)methyl]-4-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
Compound characteristics
| Compound ID: | T634-0631 |
| Compound Name: | 7-[(azepan-1-yl)methyl]-4-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine |
| Molecular Weight: | 419.54 |
| Molecular Formula: | C21 H29 N3 O4 S |
| Smiles: | Cc1c(c(C)on1)S(N1CCOc2ccc(CN3CCCCCC3)cc2C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7991 |
| logD: | 1.0944 |
| logSw: | -3.1081 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.995 |
| InChI Key: | CMKUDUPBDCZXFS-UHFFFAOYSA-N |