N~2~-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-sulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-N~2~-methylglycinamide
Chemical Structure Depiction of
N~2~-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-sulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-N~2~-methylglycinamide
N~2~-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-sulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-N~2~-methylglycinamide
Compound characteristics
| Compound ID: | K906-3702 |
| Compound Name: | N~2~-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-sulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-N~2~-methylglycinamide |
| Molecular Weight: | 489.53 |
| Molecular Formula: | C20 H19 N5 O6 S2 |
| Smiles: | CN(CC(Nc1nc2ccc(cc2s1)OC)=O)S(c1ccc2c(c1)C(NCC(N2)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3085 |
| logD: | 1.7753 |
| logSw: | -3.2385 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 123.42 |
| InChI Key: | LVNQMNVZMSDMNO-UHFFFAOYSA-N |