methyl 4-[(1-acetyl-3,3-dimethyl-2,3-dihydro-1H-indole-5-sulfonyl)amino]benzoate
Chemical Structure Depiction of
methyl 4-[(1-acetyl-3,3-dimethyl-2,3-dihydro-1H-indole-5-sulfonyl)amino]benzoate
methyl 4-[(1-acetyl-3,3-dimethyl-2,3-dihydro-1H-indole-5-sulfonyl)amino]benzoate
Compound characteristics
| Compound ID: | L302-0219 |
| Compound Name: | methyl 4-[(1-acetyl-3,3-dimethyl-2,3-dihydro-1H-indole-5-sulfonyl)amino]benzoate |
| Molecular Weight: | 402.47 |
| Molecular Formula: | C20 H22 N2 O5 S |
| Smiles: | CC(N1CC(C)(C)c2cc(ccc12)S(Nc1ccc(cc1)C(=O)OC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3989 |
| logD: | 3.2995 |
| logSw: | -3.9003 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.413 |
| InChI Key: | CECKNSXNMHHEQM-UHFFFAOYSA-N |