N-(2-chloroethyl)-3-methyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-7-sulfonamide
Chemical Structure Depiction of
N-(2-chloroethyl)-3-methyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-7-sulfonamide
N-(2-chloroethyl)-3-methyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | K906-3261 |
| Compound Name: | N-(2-chloroethyl)-3-methyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-7-sulfonamide |
| Molecular Weight: | 331.78 |
| Molecular Formula: | C12 H14 Cl N3 O4 S |
| Smiles: | CC1C(Nc2ccc(cc2NC1=O)S(NCC[Cl])(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.8065 |
| logD: | 0.2598 |
| logSw: | -2.2209 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 92.275 |
| InChI Key: | MGEZWIASDITCFF-SSDOTTSWSA-N |