4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenyl propanoate
Chemical Structure Depiction of
4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenyl propanoate
4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenyl propanoate
Compound characteristics
| Compound ID: | 2237-1590 |
| Compound Name: | 4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenyl propanoate |
| Molecular Weight: | 334.35 |
| Molecular Formula: | C15 H14 N2 O5 S |
| Smiles: | CCC(=O)Oc1ccc(C=C2C(NC(NC2=O)=S)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.0245 |
| logD: | 1.599 |
| logSw: | -2.8051 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.397 |
| InChI Key: | OVQBSSNSPJHUNA-UHFFFAOYSA-N |