2-(diethylamino)ethyl 4-{[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]amino}benzoate
Chemical Structure Depiction of
2-(diethylamino)ethyl 4-{[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]amino}benzoate
2-(diethylamino)ethyl 4-{[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]amino}benzoate
Compound characteristics
| Compound ID: | 8012-7918 |
| Compound Name: | 2-(diethylamino)ethyl 4-{[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]amino}benzoate |
| Molecular Weight: | 402.45 |
| Molecular Formula: | C20 H26 N4 O5 |
| Smiles: | CCN(CC)CCOC(c1ccc(cc1)NC=C1C(N(C)C(N(C)C1=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3451 |
| logD: | 2.3451 |
| logSw: | -2.587 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.185 |
| InChI Key: | OWIJSTYTQSDOEI-UHFFFAOYSA-N |