3-amino-N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
Chemical Structure Depiction of
3-amino-N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
3-amino-N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
Compound characteristics
| Compound ID: | 5867-0060 |
| Compound Name: | 3-amino-N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide |
| Molecular Weight: | 529.61 |
| Molecular Formula: | C29 H27 N3 O5 S |
| Smiles: | CC1(C)CC(c2c(c3ccc(cc3)OC)c3c(c(C(NCc4ccc5c(c4)OCO5)=O)sc3nc2C1)N)=O |
| Stereo: | ACHIRAL |
| logP: | 5.199 |
| logD: | 5.199 |
| logSw: | -5.4301 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 92.815 |
| InChI Key: | BMIBOKVXFLEOFQ-UHFFFAOYSA-N |