4-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]-N-[3-(propylsulfanyl)propyl]benzamide
Chemical Structure Depiction of
4-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]-N-[3-(propylsulfanyl)propyl]benzamide
4-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]-N-[3-(propylsulfanyl)propyl]benzamide
Compound characteristics
| Compound ID: | L610-0634 |
| Compound Name: | 4-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]-N-[3-(propylsulfanyl)propyl]benzamide |
| Molecular Weight: | 465.61 |
| Molecular Formula: | C26 H31 N3 O3 S |
| Smiles: | CCCSCCCNC(c1ccc(CN2C(C3CCCN3C(c3ccccc23)=O)=O)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5458 |
| logD: | 2.5458 |
| logSw: | -3.003 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.799 |
| InChI Key: | RRONBENNPPDYLS-QHCPKHFHSA-N |