methyl 2-{[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]amino}-4,5-dimethoxybenzoate
Chemical Structure Depiction of
methyl 2-{[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]amino}-4,5-dimethoxybenzoate
methyl 2-{[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]amino}-4,5-dimethoxybenzoate
Compound characteristics
| Compound ID: | Y600-0047 |
| Compound Name: | methyl 2-{[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]amino}-4,5-dimethoxybenzoate |
| Molecular Weight: | 365.36 |
| Molecular Formula: | C15 H15 N3 O6 S |
| Smiles: | COC(c1cc(c(cc1NC=C1C(NC(NC1=O)=S)=O)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4827 |
| logD: | -0.5488 |
| logSw: | -2.4314 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.964 |
| InChI Key: | OCURWWIGMPNJLH-UHFFFAOYSA-N |