2-{[3-(4-bromophenyl)-8-ethyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(5-chloro-2-methylphenyl)acetamide
Chemical Structure Depiction of
2-{[3-(4-bromophenyl)-8-ethyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(5-chloro-2-methylphenyl)acetamide
2-{[3-(4-bromophenyl)-8-ethyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(5-chloro-2-methylphenyl)acetamide
Compound characteristics
Compound ID: | F288-0122 |
Compound Name: | 2-{[3-(4-bromophenyl)-8-ethyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(5-chloro-2-methylphenyl)acetamide |
Molecular Weight: | 533.92 |
Molecular Formula: | C24 H26 Br Cl N4 O S |
Smiles: | CCN1CCC2(CC1)N=C(C(=N2)SCC(Nc1cc(ccc1C)[Cl])=O)c1ccc(cc1)[Br] |
Stereo: | ACHIRAL |
logP: | 4.7623 |
logD: | 2.1201 |
logSw: | -4.6732 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 43.069 |
InChI Key: | XDSOBLJWVHXUHY-UHFFFAOYSA-N |