3-(azepane-1-carbonyl)-5-(2,5-dimethoxyphenyl)-2-methyl-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione
Chemical Structure Depiction of
3-(azepane-1-carbonyl)-5-(2,5-dimethoxyphenyl)-2-methyl-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione
3-(azepane-1-carbonyl)-5-(2,5-dimethoxyphenyl)-2-methyl-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione
Compound characteristics
| Compound ID: | E135-0870 |
| Compound Name: | 3-(azepane-1-carbonyl)-5-(2,5-dimethoxyphenyl)-2-methyl-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione |
| Molecular Weight: | 407.49 |
| Molecular Formula: | C19 H25 N3 O5 S |
| Smiles: | CN1C(=CC(c2cc(ccc2OC)OC)=NS1(=O)=O)C(N1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4951 |
| logD: | 2.4951 |
| logSw: | -2.9181 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 77.381 |
| InChI Key: | DLZIFAKLUFUFBA-UHFFFAOYSA-N |