3-{4-[(3-methylphenyl)imino]-2-sulfanylidene-1,3-diazaspiro[4.5]decan-1-yl}benzoic acid
Chemical Structure Depiction of
3-{4-[(3-methylphenyl)imino]-2-sulfanylidene-1,3-diazaspiro[4.5]decan-1-yl}benzoic acid
3-{4-[(3-methylphenyl)imino]-2-sulfanylidene-1,3-diazaspiro[4.5]decan-1-yl}benzoic acid
Compound characteristics
| Compound ID: | 8006-8735 |
| Compound Name: | 3-{4-[(3-methylphenyl)imino]-2-sulfanylidene-1,3-diazaspiro[4.5]decan-1-yl}benzoic acid |
| Molecular Weight: | 393.51 |
| Molecular Formula: | C22 H23 N3 O2 S |
| Smiles: | Cc1cccc(c1)/N=C1/C2(CCCCC2)N(C(N1)=S)c1cccc(c1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3425 |
| logD: | 2.6573 |
| logSw: | -5.0061 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.942 |
| InChI Key: | BSZPWPLQUBUNRA-UHFFFAOYSA-N |