2-(diethylamino)ethyl 4-({[2,4,6-trioxo-1-(prop-2-en-1-yl)-1,3-diazinan-5-ylidene]methyl}amino)benzoate
Chemical Structure Depiction of
2-(diethylamino)ethyl 4-({[2,4,6-trioxo-1-(prop-2-en-1-yl)-1,3-diazinan-5-ylidene]methyl}amino)benzoate
2-(diethylamino)ethyl 4-({[2,4,6-trioxo-1-(prop-2-en-1-yl)-1,3-diazinan-5-ylidene]methyl}amino)benzoate
Compound characteristics
| Compound ID: | 8012-3968 |
| Compound Name: | 2-(diethylamino)ethyl 4-({[2,4,6-trioxo-1-(prop-2-en-1-yl)-1,3-diazinan-5-ylidene]methyl}amino)benzoate |
| Molecular Weight: | 414.46 |
| Molecular Formula: | C21 H26 N4 O5 |
| Smiles: | CCN(CC)CCOC(c1ccc(cc1)N/C=C1/C(NC(N(CC=C)C1=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3975 |
| logD: | 2.3975 |
| logSw: | -2.7369 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.312 |
| InChI Key: | ONHXKMIDOKASSC-UHFFFAOYSA-N |