prop-2-en-1-yl 2-chloro-5-{5-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoate
Chemical Structure Depiction of
prop-2-en-1-yl 2-chloro-5-{5-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoate
prop-2-en-1-yl 2-chloro-5-{5-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoate
Compound characteristics
Compound ID: | 2237-1899 |
Compound Name: | prop-2-en-1-yl 2-chloro-5-{5-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoate |
Molecular Weight: | 428.83 |
Molecular Formula: | C21 H17 Cl N2 O6 |
Smiles: | CN1C(C(=Cc2ccc(c3ccc(c(c3)C(=O)OCC=C)[Cl])o2)C(N(C)C1=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.0357 |
logD: | 4.0357 |
logSw: | -4.4924 |
Hydrogen bond acceptors count: | 10 |
Polar surface area: | 73.743 |
InChI Key: | AZDBZBJRVOHTJZ-UHFFFAOYSA-N |