N~2~-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-sulfonyl)-N-(3-ethylphenyl)-N~2~-methylglycinamide
Chemical Structure Depiction of
N~2~-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-sulfonyl)-N-(3-ethylphenyl)-N~2~-methylglycinamide
N~2~-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-sulfonyl)-N-(3-ethylphenyl)-N~2~-methylglycinamide
Compound characteristics
| Compound ID: | K906-3271 |
| Compound Name: | N~2~-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-sulfonyl)-N-(3-ethylphenyl)-N~2~-methylglycinamide |
| Molecular Weight: | 430.48 |
| Molecular Formula: | C20 H22 N4 O5 S |
| Smiles: | CCc1cccc(c1)NC(CN(C)S(c1ccc2c(c1)C(NCC(N2)=O)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2727 |
| logD: | 1.7395 |
| logSw: | -3.1278 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 106.115 |
| InChI Key: | PNABTFILNFDWQM-UHFFFAOYSA-N |