2-{[3-(4-bromophenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-phenylacetamide
Chemical Structure Depiction of
2-{[3-(4-bromophenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-phenylacetamide
2-{[3-(4-bromophenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-phenylacetamide
Compound characteristics
| Compound ID: | F288-0067 |
| Compound Name: | 2-{[3-(4-bromophenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-phenylacetamide |
| Molecular Weight: | 471.42 |
| Molecular Formula: | C22 H23 Br N4 O S |
| Smiles: | CN1CCC2(CC1)N=C(C(=N2)SCC(Nc1ccccc1)=O)c1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.4535 |
| logD: | 0.9647 |
| logSw: | -3.8244 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.707 |
| InChI Key: | NCLLWNAVRDKGEV-UHFFFAOYSA-N |