2-(8-fluoro-5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)-N-[(3-methylphenyl)methyl]acetamide
Chemical Structure Depiction of
2-(8-fluoro-5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)-N-[(3-methylphenyl)methyl]acetamide
2-(8-fluoro-5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)-N-[(3-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | M284-0874 |
| Compound Name: | 2-(8-fluoro-5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)-N-[(3-methylphenyl)methyl]acetamide |
| Molecular Weight: | 395.43 |
| Molecular Formula: | C22 H22 F N3 O3 |
| Smiles: | Cc1cccc(CNC(CN2C(C3CCCN3C(c3ccc(cc23)F)=O)=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2711 |
| logD: | 2.2711 |
| logSw: | -2.9301 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.744 |
| InChI Key: | KNKGOKVYFSOLKQ-GOSISDBHSA-N |