N~3~-[1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-5-sulfonyl]-N-[(4-methoxyphenyl)methyl]-beta-alaninamide
Chemical Structure Depiction of
N~3~-[1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-5-sulfonyl]-N-[(4-methoxyphenyl)methyl]-beta-alaninamide
N~3~-[1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-5-sulfonyl]-N-[(4-methoxyphenyl)methyl]-beta-alaninamide
Compound characteristics
| Compound ID: | G849-0039 |
| Compound Name: | N~3~-[1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-5-sulfonyl]-N-[(4-methoxyphenyl)methyl]-beta-alaninamide |
| Molecular Weight: | 457.55 |
| Molecular Formula: | C23 H27 N3 O5 S |
| Smiles: | COc1ccc(CNC(CCNS(c2ccc3c(CCN3C(C3CC3)=O)c2)(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.369 |
| logD: | 2.3689 |
| logSw: | -2.9634 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.055 |
| InChI Key: | WCYULSVYZOMECL-UHFFFAOYSA-N |