N-(1,3-benzothiazol-2-yl)-2,7,7-trimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Chemical Structure Depiction of
N-(1,3-benzothiazol-2-yl)-2,7,7-trimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
N-(1,3-benzothiazol-2-yl)-2,7,7-trimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | 3716-0321 |
| Compound Name: | N-(1,3-benzothiazol-2-yl)-2,7,7-trimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide |
| Molecular Weight: | 533.65 |
| Molecular Formula: | C29 H31 N3 O5 S |
| Smiles: | CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1cc(c(c(c1)OC)OC)OC)C(Nc1nc2ccccc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1075 |
| logD: | 3.0549 |
| logSw: | -5.0358 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.752 |
| InChI Key: | ZKKKFGPULCKZAE-DEOSSOPVSA-N |