2-{[3-(4-bromophenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)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-methoxyphenyl)acetamide
2-{[3-(4-bromophenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | F288-0094 |
| 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-methoxyphenyl)acetamide |
| Molecular Weight: | 535.89 |
| Molecular Formula: | C23 H24 Br Cl N4 O2 S |
| Smiles: | CN1CCC2(CC1)N=C(C(=N2)SCC(Nc1ccc(c(c1)[Cl])OC)=O)c1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.1558 |
| logD: | 1.6671 |
| logSw: | -4.5319 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.337 |
| InChI Key: | RTIHIARDOYLXPH-UHFFFAOYSA-N |