methyl 2-{2-[(8-methyl-3-phenyl-1,4-diazaspiro[4.5]deca-1,3-dien-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[(8-methyl-3-phenyl-1,4-diazaspiro[4.5]deca-1,3-dien-2-yl)sulfanyl]acetamido}benzoate
methyl 2-{2-[(8-methyl-3-phenyl-1,4-diazaspiro[4.5]deca-1,3-dien-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | C250-0027 |
| Compound Name: | methyl 2-{2-[(8-methyl-3-phenyl-1,4-diazaspiro[4.5]deca-1,3-dien-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 449.57 |
| Molecular Formula: | C25 H27 N3 O3 S |
| Smiles: | CC1CCC2(CC1)N=C(C(=N2)SCC(Nc1ccccc1C(=O)OC)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4981 |
| logD: | 4.4862 |
| logSw: | -4.368 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.706 |
| InChI Key: | WVXOSKDWBGXXNI-UHFFFAOYSA-N |