methyl 2-{[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]amino}benzoate
methyl 2-{[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]amino}benzoate
Compound characteristics
| Compound ID: | 3329-3656 |
| Compound Name: | methyl 2-{[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]amino}benzoate |
| Molecular Weight: | 305.31 |
| Molecular Formula: | C13 H11 N3 O4 S |
| Smiles: | COC(c1ccccc1NC=C1C(NC(NC1=O)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4937 |
| logD: | 0.694 |
| logSw: | -2.2644 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.703 |
| InChI Key: | FSNREAKUYXRHHT-UHFFFAOYSA-N |