methyl 2-{[(1-acetyl-2,3-dihydro-1H-indol-5-yl)methyl]carbamamido}-4-chlorobenzoate
Chemical Structure Depiction of
methyl 2-{[(1-acetyl-2,3-dihydro-1H-indol-5-yl)methyl]carbamamido}-4-chlorobenzoate
methyl 2-{[(1-acetyl-2,3-dihydro-1H-indol-5-yl)methyl]carbamamido}-4-chlorobenzoate
Compound characteristics
| Compound ID: | G714-0042 |
| Compound Name: | methyl 2-{[(1-acetyl-2,3-dihydro-1H-indol-5-yl)methyl]carbamamido}-4-chlorobenzoate |
| Molecular Weight: | 401.85 |
| Molecular Formula: | C20 H20 Cl N3 O4 |
| Smiles: | CC(N1CCc2cc(CNC(Nc3cc(ccc3C(=O)OC)[Cl])=O)ccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5694 |
| logD: | 2.5144 |
| logSw: | -3.5939 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.758 |
| InChI Key: | IIBWCXKTJHBERD-UHFFFAOYSA-N |