methyl (3-{[1-(3-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetate
Chemical Structure Depiction of
methyl (3-{[1-(3-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetate
methyl (3-{[1-(3-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetate
Compound characteristics
| Compound ID: | 4724-2699 |
| Compound Name: | methyl (3-{[1-(3-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetate |
| Molecular Weight: | 421.38 |
| Molecular Formula: | C22 H16 F N3 O5 |
| Smiles: | COC(Cn1cc(/C=C2/C(NC(N(C2=O)c2cccc(c2)F)=O)=O)c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9872 |
| logD: | 0.5942 |
| logSw: | -2.8072 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.973 |
| InChI Key: | YHSGQKJFCYYNBP-UHFFFAOYSA-N |