methyl 4-{[3,3-dimethyl-1-(2-methylpropanoyl)-2,3-dihydro-1H-indole-5-sulfonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[3,3-dimethyl-1-(2-methylpropanoyl)-2,3-dihydro-1H-indole-5-sulfonyl]amino}benzoate
methyl 4-{[3,3-dimethyl-1-(2-methylpropanoyl)-2,3-dihydro-1H-indole-5-sulfonyl]amino}benzoate
Compound characteristics
| Compound ID: | L302-1005 |
| Compound Name: | methyl 4-{[3,3-dimethyl-1-(2-methylpropanoyl)-2,3-dihydro-1H-indole-5-sulfonyl]amino}benzoate |
| Molecular Weight: | 430.52 |
| Molecular Formula: | C22 H26 N2 O5 S |
| Smiles: | CC(C)C(N1CC(C)(C)c2cc(ccc12)S(Nc1ccc(cc1)C(=O)OC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4209 |
| logD: | 4.3216 |
| logSw: | -4.2725 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.946 |
| InChI Key: | YBKQAUATAWYRPM-UHFFFAOYSA-N |