(5Z)-5-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-3-(4-ethoxyphenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
Chemical Structure Depiction of
(5Z)-5-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-3-(4-ethoxyphenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
(5Z)-5-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-3-(4-ethoxyphenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
Compound characteristics
| Compound ID: | IB03-0394 |
| Compound Name: | (5Z)-5-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-3-(4-ethoxyphenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione |
| Molecular Weight: | 463.92 |
| Molecular Formula: | C25 H22 Cl N3 O4 |
| Smiles: | CCOc1ccc(cc1)N1C(C(=C/c2cc(C)n(c3ccc(cc3)[Cl])c2C)\C(=NC1=O)O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.71 |
| logD: | -1.42 |
| logSw: | -4.54 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 116.12 |
| InChI Key: | JAFBOSDWMHQKBG-UHFFFAOYSA-N |