N-(3-chloro-4-fluorophenyl)-2-[(3-phenyl-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-2-[(3-phenyl-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl)sulfanyl]acetamide
N-(3-chloro-4-fluorophenyl)-2-[(3-phenyl-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | C250-0145 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-[(3-phenyl-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 415.92 |
| Molecular Formula: | C21 H19 Cl F N3 O S |
| Smiles: | C1CCC2(C1)N=C(C(=N2)SCC(Nc1ccc(c(c1)[Cl])F)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4616 |
| logD: | 4.4546 |
| logSw: | -4.611 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.596 |
| InChI Key: | UYHIAEVAKUCELQ-UHFFFAOYSA-N |