2-{[1-(3-carboxypropanoyl)-2,3-dihydro-1H-indole-5-sulfonyl]amino}-4,5-dimethoxybenzoic acid
Chemical Structure Depiction of
2-{[1-(3-carboxypropanoyl)-2,3-dihydro-1H-indole-5-sulfonyl]amino}-4,5-dimethoxybenzoic acid
2-{[1-(3-carboxypropanoyl)-2,3-dihydro-1H-indole-5-sulfonyl]amino}-4,5-dimethoxybenzoic acid
Compound characteristics
| Compound ID: | C563-0581 |
| Compound Name: | 2-{[1-(3-carboxypropanoyl)-2,3-dihydro-1H-indole-5-sulfonyl]amino}-4,5-dimethoxybenzoic acid |
| Molecular Weight: | 478.48 |
| Molecular Formula: | C21 H22 N2 O9 S |
| Smiles: | COc1cc(C(O)=O)c(cc1OC)NS(c1ccc2c(CCN2C(CCC(O)=O)=O)c1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4613 |
| logD: | -1.7877 |
| logSw: | -2.4912 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 127.666 |
| InChI Key: | ZOZJQJURVGAJAN-UHFFFAOYSA-N |