1-{7-[2-(3-methylthiophen-2-yl)azepane-1-sulfonyl]-2,3-dihydro-4H-1,4-benzoxazin-4-yl}ethan-1-one
Chemical Structure Depiction of
1-{7-[2-(3-methylthiophen-2-yl)azepane-1-sulfonyl]-2,3-dihydro-4H-1,4-benzoxazin-4-yl}ethan-1-one
1-{7-[2-(3-methylthiophen-2-yl)azepane-1-sulfonyl]-2,3-dihydro-4H-1,4-benzoxazin-4-yl}ethan-1-one
Compound characteristics
| Compound ID: | J005-0295 |
| Compound Name: | 1-{7-[2-(3-methylthiophen-2-yl)azepane-1-sulfonyl]-2,3-dihydro-4H-1,4-benzoxazin-4-yl}ethan-1-one |
| Molecular Weight: | 434.58 |
| Molecular Formula: | C21 H26 N2 O4 S2 |
| Smiles: | CC(N1CCOc2cc(ccc12)S(N1CCCCCC1c1c(C)ccs1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8555 |
| logD: | 3.8555 |
| logSw: | -3.8658 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.502 |
| InChI Key: | VYOOJOBOHZQIBB-IBGZPJMESA-N |