2-(diethylamino)ethyl 4-{[(1,3-dimethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]amino}benzoate
Chemical Structure Depiction of
2-(diethylamino)ethyl 4-{[(1,3-dimethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]amino}benzoate
2-(diethylamino)ethyl 4-{[(1,3-dimethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]amino}benzoate
Compound characteristics
| Compound ID: | 8012-9083 |
| Compound Name: | 2-(diethylamino)ethyl 4-{[(1,3-dimethyl-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)NC=C1C(N(C)C(N(C)C1=O)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7675 |
| logD: | 0.7991 |
| logSw: | -2.4076 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.878 |
| InChI Key: | RXNHXLIWFBVSEA-UHFFFAOYSA-N |