2-(diethylamino)ethyl 4-{[(1-ethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]amino}benzoate
Chemical Structure Depiction of
2-(diethylamino)ethyl 4-{[(1-ethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]amino}benzoate
2-(diethylamino)ethyl 4-{[(1-ethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]amino}benzoate
Compound characteristics
| Compound ID: | 8012-9050 |
| Compound Name: | 2-(diethylamino)ethyl 4-{[(1-ethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]amino}benzoate |
| Molecular Weight: | 418.51 |
| Molecular Formula: | C20 H26 N4 O4 S |
| Smiles: | CCN(CC)CCOC(c1ccc(cc1)N/C=C1/C(NC(N(CC)C1=O)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5287 |
| logD: | 1.5603 |
| logSw: | -2.7671 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.896 |
| InChI Key: | QCTIAVXAVGGGFV-UHFFFAOYSA-N |