ethyl 4-({N-[1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-5-sulfonyl]-beta-alanyl}amino)benzoate
Chemical Structure Depiction of
ethyl 4-({N-[1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-5-sulfonyl]-beta-alanyl}amino)benzoate
ethyl 4-({N-[1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-5-sulfonyl]-beta-alanyl}amino)benzoate
Compound characteristics
| Compound ID: | G849-0064 |
| Compound Name: | ethyl 4-({N-[1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-5-sulfonyl]-beta-alanyl}amino)benzoate |
| Molecular Weight: | 485.56 |
| Molecular Formula: | C24 H27 N3 O6 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CCNS(c1ccc2c(CCN2C(C2CC2)=O)c1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2877 |
| logD: | 3.2871 |
| logSw: | -3.7385 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.943 |
| InChI Key: | MRRGHFJFJRGVAX-UHFFFAOYSA-N |