N-(1,3-benzothiazol-2-yl)-4-(4-hydroxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Chemical Structure Depiction of
N-(1,3-benzothiazol-2-yl)-4-(4-hydroxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
N-(1,3-benzothiazol-2-yl)-4-(4-hydroxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | 3716-0041 |
| Compound Name: | N-(1,3-benzothiazol-2-yl)-4-(4-hydroxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide |
| Molecular Weight: | 489.59 |
| Molecular Formula: | C27 H27 N3 O4 S |
| Smiles: | CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1ccc(c(c1)OC)O)C(Nc1nc2ccccc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5466 |
| logD: | 2.4939 |
| logSw: | -4.1628 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.952 |
| InChI Key: | UJDIFPMGVFPXCL-QHCPKHFHSA-N |