ethyl 3-{[N-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-beta-alanyl]amino}benzoate
Chemical Structure Depiction of
ethyl 3-{[N-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-beta-alanyl]amino}benzoate
ethyl 3-{[N-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-beta-alanyl]amino}benzoate
Compound characteristics
| Compound ID: | C450-0800 |
| Compound Name: | ethyl 3-{[N-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-beta-alanyl]amino}benzoate |
| Molecular Weight: | 459.52 |
| Molecular Formula: | C22 H25 N3 O6 S |
| Smiles: | CCOC(c1cccc(c1)NC(CCNS(c1ccc2c(CCN2C(C)=O)c1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6571 |
| logD: | 2.657 |
| logSw: | -3.1762 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.16 |
| InChI Key: | PEXUHIIJLOTVFZ-UHFFFAOYSA-N |