3-[4-(phenylimino)-2-sulfanylidene-1,3-diazaspiro[4.5]decan-1-yl]benzoic acid
Chemical Structure Depiction of
3-[4-(phenylimino)-2-sulfanylidene-1,3-diazaspiro[4.5]decan-1-yl]benzoic acid
3-[4-(phenylimino)-2-sulfanylidene-1,3-diazaspiro[4.5]decan-1-yl]benzoic acid
Compound characteristics
Compound ID: | 8009-0064 |
Compound Name: | 3-[4-(phenylimino)-2-sulfanylidene-1,3-diazaspiro[4.5]decan-1-yl]benzoic acid |
Molecular Weight: | 379.48 |
Molecular Formula: | C21 H21 N3 O2 S |
Smiles: | C1CCC2(CC1)/C(NC(N2c1cccc(c1)C(O)=O)=S)=N/c1ccccc1 |
Stereo: | ACHIRAL |
logP: | 4.5426 |
logD: | 1.8574 |
logSw: | -4.2548 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 49.942 |
InChI Key: | XJSDIYGWAFKVCU-UHFFFAOYSA-N |