(3-{[1-(3-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetic acid
Chemical Structure Depiction of
(3-{[1-(3-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetic acid
(3-{[1-(3-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetic acid
Compound characteristics
| Compound ID: | 4998-2734 |
| Compound Name: | (3-{[1-(3-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetic acid |
| Molecular Weight: | 423.42 |
| Molecular Formula: | C21 H14 F N3 O4 S |
| Smiles: | C(C(O)=O)n1cc(\C=C2/C(NC(N(C2=O)c2cccc(c2)F)=S)=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 1.3066 |
| logD: | -2.6751 |
| logSw: | -2.3045 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.616 |
| InChI Key: | OGLWAABRBKSAOW-UHFFFAOYSA-N |