methyl 4-({N-[1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-5-sulfonyl]-beta-alanyl}amino)benzoate
Chemical Structure Depiction of
methyl 4-({N-[1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-5-sulfonyl]-beta-alanyl}amino)benzoate
methyl 4-({N-[1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-5-sulfonyl]-beta-alanyl}amino)benzoate
Compound characteristics
| Compound ID: | G849-0122 |
| Compound Name: | methyl 4-({N-[1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-5-sulfonyl]-beta-alanyl}amino)benzoate |
| Molecular Weight: | 471.53 |
| Molecular Formula: | C23 H25 N3 O6 S |
| Smiles: | COC(c1ccc(cc1)NC(CCNS(c1ccc2c(CCN2C(C2CC2)=O)c1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7771 |
| logD: | 2.7764 |
| logSw: | -3.6782 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.363 |
| InChI Key: | CDUFYEINHUQFIS-UHFFFAOYSA-N |