3-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]-N-{[4-(methylsulfanyl)phenyl]methyl}benzamide
Chemical Structure Depiction of
3-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]-N-{[4-(methylsulfanyl)phenyl]methyl}benzamide
3-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]-N-{[4-(methylsulfanyl)phenyl]methyl}benzamide
Compound characteristics
| Compound ID: | L610-0818 |
| Compound Name: | 3-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]-N-{[4-(methylsulfanyl)phenyl]methyl}benzamide |
| Molecular Weight: | 485.6 |
| Molecular Formula: | C28 H27 N3 O3 S |
| Smiles: | CSc1ccc(CNC(c2cccc(CN3C(C4CCCN4C(c4ccccc34)=O)=O)c2)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3714 |
| logD: | 3.3713 |
| logSw: | -3.9091 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.686 |
| InChI Key: | YBJHMJYUWXCFCY-VWLOTQADSA-N |