4-{[N-(cyclopropylmethyl)(propan-2-yl)carbamamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
4-{[N-(cyclopropylmethyl)(propan-2-yl)carbamamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
4-{[N-(cyclopropylmethyl)(propan-2-yl)carbamamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
Compound characteristics
Compound ID: | V027-2703 |
Compound Name: | 4-{[N-(cyclopropylmethyl)(propan-2-yl)carbamamido]methyl}phenyl 4-methoxybenzene-1-sulfonate |
Molecular Weight: | 432.54 |
Molecular Formula: | C22 H28 N2 O5 S |
Smiles: | CC(C)NC(N(CC1CC1)Cc1ccc(cc1)OS(c1ccc(cc1)OC)(=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.1444 |
logD: | 4.1444 |
logSw: | -4.1092 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 69.395 |
InChI Key: | FGEZERBYKUGFEG-UHFFFAOYSA-N |