3-(3-{[1-(4-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
Chemical Structure Depiction of
3-(3-{[1-(4-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
3-(3-{[1-(4-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
Compound characteristics
| Compound ID: | 3288-0483 |
| Compound Name: | 3-(3-{[1-(4-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid |
| Molecular Weight: | 463.88 |
| Molecular Formula: | C24 H18 Cl N3 O5 |
| Smiles: | Cc1cc(\C=C2/C(NC(N(C2=O)c2ccc(cc2)[Cl])=O)=O)c(C)n1c1cccc(c1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.634 |
| logD: | -0.998 |
| logSw: | -4.0802 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.464 |
| InChI Key: | KITJQTFKMXJQHK-UHFFFAOYSA-N |