1-[(4-methylphenyl)methyl]-3-(pyrrolidine-1-carbonyl)-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione
Chemical Structure Depiction of
1-[(4-methylphenyl)methyl]-3-(pyrrolidine-1-carbonyl)-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione
1-[(4-methylphenyl)methyl]-3-(pyrrolidine-1-carbonyl)-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione
Compound characteristics
| Compound ID: | M786-2923 |
| Compound Name: | 1-[(4-methylphenyl)methyl]-3-(pyrrolidine-1-carbonyl)-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione |
| Molecular Weight: | 383.47 |
| Molecular Formula: | C20 H21 N3 O3 S |
| Smiles: | Cc1ccc(CN2c3ccccc3S(C(C(N3CCCC3)=O)=N2)(=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.7495 |
| logD: | 2.7495 |
| logSw: | -3.2452 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.704 |
| InChI Key: | OXGCNRIGJYTFCG-UHFFFAOYSA-N |