4-{4-[(3-methylphenyl)imino]-2-sulfanylidene-1,3-diazaspiro[4.5]decan-1-yl}benzoic acid
Chemical Structure Depiction of
4-{4-[(3-methylphenyl)imino]-2-sulfanylidene-1,3-diazaspiro[4.5]decan-1-yl}benzoic acid
4-{4-[(3-methylphenyl)imino]-2-sulfanylidene-1,3-diazaspiro[4.5]decan-1-yl}benzoic acid
Compound characteristics
| Compound ID: | 8007-2800 |
| Compound Name: | 4-{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)c1ccc(cc1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2534 |
| logD: | 2.8582 |
| logSw: | -4.6968 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.942 |
| InChI Key: | WEPHCBUVIYTZPW-UHFFFAOYSA-N |