methyl 2-{(1-acetylpiperidin-4-yl)[(5-methylfuran-2-yl)methyl]carbamamido}-4-chlorobenzoate
Chemical Structure Depiction of
methyl 2-{(1-acetylpiperidin-4-yl)[(5-methylfuran-2-yl)methyl]carbamamido}-4-chlorobenzoate
methyl 2-{(1-acetylpiperidin-4-yl)[(5-methylfuran-2-yl)methyl]carbamamido}-4-chlorobenzoate
Compound characteristics
| Compound ID: | E641-2189 |
| Compound Name: | methyl 2-{(1-acetylpiperidin-4-yl)[(5-methylfuran-2-yl)methyl]carbamamido}-4-chlorobenzoate |
| Molecular Weight: | 447.92 |
| Molecular Formula: | C22 H26 Cl N3 O5 |
| Smiles: | CC(N1CCC(CC1)N(Cc1ccc(C)o1)C(Nc1cc(ccc1C(=O)OC)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8611 |
| logD: | 3.8431 |
| logSw: | -4.2961 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.178 |
| InChI Key: | BISGKWLJPFLYAD-UHFFFAOYSA-N |