N~2~-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-sulfonyl)-N~2~-methyl-N-[4-(propan-2-yl)phenyl]glycinamide
Chemical Structure Depiction of
N~2~-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-sulfonyl)-N~2~-methyl-N-[4-(propan-2-yl)phenyl]glycinamide
N~2~-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-sulfonyl)-N~2~-methyl-N-[4-(propan-2-yl)phenyl]glycinamide
Compound characteristics
| Compound ID: | E197-1098 |
| Compound Name: | N~2~-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-sulfonyl)-N~2~-methyl-N-[4-(propan-2-yl)phenyl]glycinamide |
| Molecular Weight: | 444.51 |
| Molecular Formula: | C21 H24 N4 O5 S |
| Smiles: | CC(C)c1ccc(cc1)NC(CN(C)S(c1ccc2c(c1)C(NCC(N2)=O)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8204 |
| logD: | 2.2872 |
| logSw: | -3.6007 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 106.115 |
| InChI Key: | PRRXIHPKZQVPPC-UHFFFAOYSA-N |