5-(4-tert-butylphenyl)-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-1-[(pyridin-3-yl)methyl]-1,5-dihydro-2H-pyrrol-2-one
Chemical Structure Depiction of
5-(4-tert-butylphenyl)-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-1-[(pyridin-3-yl)methyl]-1,5-dihydro-2H-pyrrol-2-one
5-(4-tert-butylphenyl)-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-1-[(pyridin-3-yl)methyl]-1,5-dihydro-2H-pyrrol-2-one
Compound characteristics
| Compound ID: | Y070-1502 |
| Compound Name: | 5-(4-tert-butylphenyl)-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-1-[(pyridin-3-yl)methyl]-1,5-dihydro-2H-pyrrol-2-one |
| Molecular Weight: | 484.55 |
| Molecular Formula: | C29 H28 N2 O5 |
| Smiles: | CC(C)(C)c1ccc(cc1)C1C(=C(C(N1Cc1cccnc1)=O)O)C(c1ccc2c(c1)OCCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6584 |
| logD: | 3.6549 |
| logSw: | -3.4555 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.168 |
| InChI Key: | KOIDLYFJLCPIQP-VWLOTQADSA-N |