N-[2-(5-chloro-1H-indol-3-yl)ethyl]-N~3~-(9H-purin-6-yl)-beta-alaninamide
Chemical Structure Depiction of
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-N~3~-(9H-purin-6-yl)-beta-alaninamide
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-N~3~-(9H-purin-6-yl)-beta-alaninamide
Compound characteristics
| Compound ID: | Y044-0131 |
| Compound Name: | N-[2-(5-chloro-1H-indol-3-yl)ethyl]-N~3~-(9H-purin-6-yl)-beta-alaninamide |
| Molecular Weight: | 383.84 |
| Molecular Formula: | C18 H18 Cl N7 O |
| Smiles: | C(CNc1c2c(ncn1)[nH]cn2)C(NCCc1c[nH]c2ccc(cc12)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 1.6324 |
| logD: | 1.6305 |
| logSw: | -2.6577 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 87.574 |
| InChI Key: | YUKUDQVCQWSURH-UHFFFAOYSA-N |