{2-[(2-methoxyethyl)amino]-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl}(3-methylthiophen-2-yl)methanone
Chemical Structure Depiction of
{2-[(2-methoxyethyl)amino]-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl}(3-methylthiophen-2-yl)methanone
{2-[(2-methoxyethyl)amino]-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl}(3-methylthiophen-2-yl)methanone
Compound characteristics
| Compound ID: | S029-0054 |
| Compound Name: | {2-[(2-methoxyethyl)amino]-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl}(3-methylthiophen-2-yl)methanone |
| Molecular Weight: | 398.53 |
| Molecular Formula: | C21 H26 N4 O2 S |
| Smiles: | Cc1ccsc1C(N1CCC2(C1)C(NCCOC)=Nc1ccccc1CN2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3869 |
| logD: | 2.3782 |
| logSw: | -2.6358 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.843 |
| InChI Key: | MYMLIUKADGXTNT-NRFANRHFSA-N |