(3-{[1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetic acid
Chemical Structure Depiction of
(3-{[1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetic acid
(3-{[1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetic acid
Compound characteristics
| Compound ID: | 4999-1706 |
| Compound Name: | (3-{[1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetic acid |
| Molecular Weight: | 435.46 |
| Molecular Formula: | C22 H17 N3 O5 S |
| Smiles: | COc1ccc(cc1)N1C(C(=C\c2cn(CC(O)=O)c3ccccc23)\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2135 |
| logD: | -2.7682 |
| logSw: | -2.2324 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.16 |
| InChI Key: | PLZLDMPGHCIAIT-UHFFFAOYSA-N |