3-(5-{[1-(naphthalen-2-yl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid
Chemical Structure Depiction of
3-(5-{[1-(naphthalen-2-yl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid
3-(5-{[1-(naphthalen-2-yl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid
Compound characteristics
| Compound ID: | 3269-0151 |
| Compound Name: | 3-(5-{[1-(naphthalen-2-yl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid |
| Molecular Weight: | 468.49 |
| Molecular Formula: | C26 H16 N2 O5 S |
| Smiles: | C(=C1/C(NC(N(C1=O)c1ccc2ccccc2c1)=S)=O)/c1ccc(c2cccc(c2)C(O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 5.0422 |
| logD: | 1.5295 |
| logSw: | -5.4035 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.935 |
| InChI Key: | VWDIIIMGFDBBMR-UHFFFAOYSA-N |