3-{[1-(3-carboxypropanoyl)-2,3-dihydro-1H-indole-5-sulfonyl]amino}-4-methylbenzoic acid
Chemical Structure Depiction of
3-{[1-(3-carboxypropanoyl)-2,3-dihydro-1H-indole-5-sulfonyl]amino}-4-methylbenzoic acid
3-{[1-(3-carboxypropanoyl)-2,3-dihydro-1H-indole-5-sulfonyl]amino}-4-methylbenzoic acid
Compound characteristics
| Compound ID: | C563-0380 |
| Compound Name: | 3-{[1-(3-carboxypropanoyl)-2,3-dihydro-1H-indole-5-sulfonyl]amino}-4-methylbenzoic acid |
| Molecular Weight: | 432.45 |
| Molecular Formula: | C20 H20 N2 O7 S |
| Smiles: | Cc1ccc(cc1NS(c1ccc2c(CCN2C(CCC(O)=O)=O)c1)(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1295 |
| logD: | -0.8199 |
| logSw: | -2.6796 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 112.405 |
| InChI Key: | ICLWXCBUZJOSPT-UHFFFAOYSA-N |