N-(2-methyl-3-nitrophenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-7-sulfonamide
Chemical Structure Depiction of
N-(2-methyl-3-nitrophenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-7-sulfonamide
N-(2-methyl-3-nitrophenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | K906-4364 |
| Compound Name: | N-(2-methyl-3-nitrophenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-7-sulfonamide |
| Molecular Weight: | 390.37 |
| Molecular Formula: | C16 H14 N4 O6 S |
| Smiles: | Cc1c(cccc1[N+]([O-])=O)NS(c1ccc2c(c1)NC(CC(N2)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7502 |
| logD: | -0.074 |
| logSw: | -2.5417 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 123.323 |
| InChI Key: | FLAZUDOVQOONRI-UHFFFAOYSA-N |