3-(2,3-dihydro-1-benzofuran-5-yl)-N-{3-[2-(methylsulfanyl)ethyl]-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-7-yl}propanamide
Chemical Structure Depiction of
3-(2,3-dihydro-1-benzofuran-5-yl)-N-{3-[2-(methylsulfanyl)ethyl]-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-7-yl}propanamide
3-(2,3-dihydro-1-benzofuran-5-yl)-N-{3-[2-(methylsulfanyl)ethyl]-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-7-yl}propanamide
Compound characteristics
| Compound ID: | Y043-4405 |
| Compound Name: | 3-(2,3-dihydro-1-benzofuran-5-yl)-N-{3-[2-(methylsulfanyl)ethyl]-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-7-yl}propanamide |
| Molecular Weight: | 439.53 |
| Molecular Formula: | C23 H25 N3 O4 S |
| Smiles: | CSCCC1C(Nc2ccc(cc2C(N1)=O)NC(CCc1ccc2c(CCO2)c1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3529 |
| logD: | 3.3394 |
| logSw: | -3.5968 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.338 |
| InChI Key: | ZEMISFJJJPGUNZ-IBGZPJMESA-N |