2-{[3-(4-bromophenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(3-chloro-4-fluorophenyl)acetamide
Chemical Structure Depiction of
2-{[3-(4-bromophenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(3-chloro-4-fluorophenyl)acetamide
2-{[3-(4-bromophenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(3-chloro-4-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | F288-0079 |
| Compound Name: | 2-{[3-(4-bromophenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(3-chloro-4-fluorophenyl)acetamide |
| Molecular Weight: | 523.85 |
| Molecular Formula: | C22 H21 Br Cl F N4 O S |
| Smiles: | CN1CCC2(CC1)N=C(C(=N2)SCC(Nc1ccc(c(c1)[Cl])F)=O)c1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.3754 |
| logD: | 1.8866 |
| logSw: | -4.4819 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.707 |
| InChI Key: | RDORWHBTXAVKIA-UHFFFAOYSA-N |