methyl {5-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate
Chemical Structure Depiction of
methyl {5-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate
methyl {5-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate
Compound characteristics
| Compound ID: | F404-0056 |
| Compound Name: | methyl {5-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate |
| Molecular Weight: | 397.4 |
| Molecular Formula: | C21 H20 F N3 O4 |
| Smiles: | Cc1ccc(cc1F)NC(CN1C(C=C(CC(=O)OC)Nc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0682 |
| logD: | 2.7067 |
| logSw: | -3.3215 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.304 |
| InChI Key: | NYGYYUBTLMQTPN-UHFFFAOYSA-N |