2-(8-fluoro-5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)-N-(4-methoxyphenyl)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-(4-methoxyphenyl)acetamide
2-(8-fluoro-5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)-N-(4-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | M284-0899 |
| 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-(4-methoxyphenyl)acetamide |
| Molecular Weight: | 397.4 |
| Molecular Formula: | C21 H20 F N3 O4 |
| Smiles: | COc1ccc(cc1)NC(CN1C(C2CCCN2C(c2ccc(cc12)F)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9872 |
| logD: | 1.9872 |
| logSw: | -2.9805 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.966 |
| InChI Key: | HNUDLPVNRRRPIT-QGZVFWFLSA-N |