N~3~-[1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-5-sulfonyl]-N-(3,4-dimethoxyphenyl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-[1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-5-sulfonyl]-N-(3,4-dimethoxyphenyl)-beta-alaninamide
N~3~-[1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-5-sulfonyl]-N-(3,4-dimethoxyphenyl)-beta-alaninamide
Compound characteristics
Compound ID: | G849-0002 |
Compound Name: | N~3~-[1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-5-sulfonyl]-N-(3,4-dimethoxyphenyl)-beta-alaninamide |
Molecular Weight: | 473.55 |
Molecular Formula: | C23 H27 N3 O6 S |
Smiles: | COc1ccc(cc1OC)NC(CCNS(c1ccc2c(CCN2C(C2CC2)=O)c1)(=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.2212 |
logD: | 2.221 |
logSw: | -3.0568 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 96.45 |
InChI Key: | XBXXHFTXYZBDQN-UHFFFAOYSA-N |