2-{[3-(4-chlorophenyl)-8-ethyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[3-(4-chlorophenyl)-8-ethyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
2-{[3-(4-chlorophenyl)-8-ethyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | C916-0711 |
| Compound Name: | 2-{[3-(4-chlorophenyl)-8-ethyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide |
| Molecular Weight: | 485.05 |
| Molecular Formula: | C25 H29 Cl N4 O2 S |
| Smiles: | CCN1CCC2(CC1)N=C(C(=N2)SCC(Nc1ccc(cc1)OCC)=O)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.4349 |
| logD: | 1.7927 |
| logSw: | -4.4383 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.891 |
| InChI Key: | BNFBMUSNRVWVCB-UHFFFAOYSA-N |