butyl 4-{[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]amino}benzoate
Chemical Structure Depiction of
butyl 4-{[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]amino}benzoate
butyl 4-{[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]amino}benzoate
Compound characteristics
| Compound ID: | 8003-4193 |
| Compound Name: | butyl 4-{[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]amino}benzoate |
| Molecular Weight: | 331.33 |
| Molecular Formula: | C16 H17 N3 O5 |
| Smiles: | CCCCOC(c1ccc(cc1)NC=C1C(NC(NC1=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1535 |
| logD: | 1.7992 |
| logSw: | -2.8571 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.292 |
| InChI Key: | XWUOJLBTUHCXEA-UHFFFAOYSA-N |