1'-(4-ethylbenzene-1-sulfonyl)-N-(2-methoxyethyl)-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-2-amine
Chemical Structure Depiction of
1'-(4-ethylbenzene-1-sulfonyl)-N-(2-methoxyethyl)-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-2-amine
1'-(4-ethylbenzene-1-sulfonyl)-N-(2-methoxyethyl)-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-2-amine
Compound characteristics
| Compound ID: | S029-0308 |
| Compound Name: | 1'-(4-ethylbenzene-1-sulfonyl)-N-(2-methoxyethyl)-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-2-amine |
| Molecular Weight: | 442.58 |
| Molecular Formula: | C23 H30 N4 O3 S |
| Smiles: | CCc1ccc(cc1)S(N1CCC2(C1)C(NCCOC)=Nc1ccccc1CN2)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0671 |
| logD: | 3.0664 |
| logSw: | -3.4434 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.888 |
| InChI Key: | HCKMZIWBGSGVEK-QHCPKHFHSA-N |