3-(azepane-1-carbonyl)-1-[(4-chlorophenyl)methyl]-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione
Chemical Structure Depiction of
3-(azepane-1-carbonyl)-1-[(4-chlorophenyl)methyl]-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione
3-(azepane-1-carbonyl)-1-[(4-chlorophenyl)methyl]-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione
Compound characteristics
| Compound ID: | M786-3113 |
| Compound Name: | 3-(azepane-1-carbonyl)-1-[(4-chlorophenyl)methyl]-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione |
| Molecular Weight: | 431.94 |
| Molecular Formula: | C21 H22 Cl N3 O3 S |
| Smiles: | C1CCCN(CC1)C(C1=NN(Cc2ccc(cc2)[Cl])c2ccccc2S1(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7041 |
| logD: | 3.7041 |
| logSw: | -4.2112 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.669 |
| InChI Key: | GTIAGXDLHLOKFE-UHFFFAOYSA-N |