7-(azocane-1-sulfonyl)-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
7-(azocane-1-sulfonyl)-6-methyl-2H-1,4-benzoxazin-3(4H)-one
7-(azocane-1-sulfonyl)-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | G805-0446 |
| Compound Name: | 7-(azocane-1-sulfonyl)-6-methyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 338.42 |
| Molecular Formula: | C16 H22 N2 O4 S |
| Smiles: | Cc1cc2c(cc1S(N1CCCCCCC1)(=O)=O)OCC(N2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3074 |
| logD: | 2.3068 |
| logSw: | -2.8793 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.551 |
| InChI Key: | DTGHUAYLQZLDEI-UHFFFAOYSA-N |