methyl 2-(2-{3-[(3-chlorophenyl)methanesulfonyl]-1H-indol-1-yl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{3-[(3-chlorophenyl)methanesulfonyl]-1H-indol-1-yl}acetamido)benzoate
methyl 2-(2-{3-[(3-chlorophenyl)methanesulfonyl]-1H-indol-1-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | E690-0363 |
| Compound Name: | methyl 2-(2-{3-[(3-chlorophenyl)methanesulfonyl]-1H-indol-1-yl}acetamido)benzoate |
| Molecular Weight: | 496.97 |
| Molecular Formula: | C25 H21 Cl N2 O5 S |
| Smiles: | COC(c1ccccc1NC(Cn1cc(c2ccccc12)S(Cc1cccc(c1)[Cl])(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5554 |
| logD: | 4.5116 |
| logSw: | -4.6203 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.361 |
| InChI Key: | JTVYFYYBXVABAA-UHFFFAOYSA-N |