3-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]-N-{3-[(propan-2-yl)oxy]propyl}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-{3-[(propan-2-yl)oxy]propyl}benzamide
3-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]-N-{3-[(propan-2-yl)oxy]propyl}benzamide
Compound characteristics
| Compound ID: | L610-0746 |
| Compound Name: | 3-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]-N-{3-[(propan-2-yl)oxy]propyl}benzamide |
| Molecular Weight: | 449.55 |
| Molecular Formula: | C26 H31 N3 O4 |
| Smiles: | CC(C)OCCCNC(c1cccc(CN2C(C3CCCN3C(c3ccccc23)=O)=O)c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8184 |
| logD: | 1.8184 |
| logSw: | -2.7446 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64 |
| InChI Key: | LKKPYLROCXIOMX-QHCPKHFHSA-N |