4-[2-(azepan-1-yl)-2-oxoethyl]-2-[(4-methoxyphenyl)methyl]-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
Chemical Structure Depiction of
4-[2-(azepan-1-yl)-2-oxoethyl]-2-[(4-methoxyphenyl)methyl]-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
4-[2-(azepan-1-yl)-2-oxoethyl]-2-[(4-methoxyphenyl)methyl]-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
Compound characteristics
| Compound ID: | K261-2162 |
| Compound Name: | 4-[2-(azepan-1-yl)-2-oxoethyl]-2-[(4-methoxyphenyl)methyl]-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione |
| Molecular Weight: | 457.55 |
| Molecular Formula: | C23 H27 N3 O5 S |
| Smiles: | COc1ccc(CN2C(N(CC(N3CCCCCC3)=O)c3ccccc3S2(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.9863 |
| logD: | 2.9863 |
| logSw: | -3.4788 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.227 |
| InChI Key: | JOJULZRUABFLFN-UHFFFAOYSA-N |