methyl 3-(3-{[1-(4-tert-butylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
Chemical Structure Depiction of
methyl 3-(3-{[1-(4-tert-butylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
methyl 3-(3-{[1-(4-tert-butylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
Compound characteristics
| Compound ID: | 3269-0477 |
| Compound Name: | methyl 3-(3-{[1-(4-tert-butylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate |
| Molecular Weight: | 499.57 |
| Molecular Formula: | C29 H29 N3 O5 |
| Smiles: | Cc1cc(\C=C2/C(NC(N(C2=O)c2ccc(cc2)C(C)(C)C)=O)=O)c(C)n1c1cccc(c1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.9811 |
| logD: | 4.9009 |
| logSw: | -4.7302 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.229 |
| InChI Key: | ABOXYVMURNUMAC-UHFFFAOYSA-N |