2-chloro-5-(5-{[2,4,6-trioxo-1-(prop-2-en-1-yl)-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid
Chemical Structure Depiction of
2-chloro-5-(5-{[2,4,6-trioxo-1-(prop-2-en-1-yl)-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid
2-chloro-5-(5-{[2,4,6-trioxo-1-(prop-2-en-1-yl)-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid
Compound characteristics
| Compound ID: | 3229-2896 |
| Compound Name: | 2-chloro-5-(5-{[2,4,6-trioxo-1-(prop-2-en-1-yl)-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid |
| Molecular Weight: | 400.77 |
| Molecular Formula: | C19 H13 Cl N2 O6 |
| Smiles: | C=CCN1C(C(=C/c2ccc(c3ccc(c(c3)C(O)=O)[Cl])o2)\C(NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1953 |
| logD: | -1.235 |
| logSw: | -3.729 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.23 |
| InChI Key: | BGCPEUUXELYRCT-UHFFFAOYSA-N |