2-{[3-(4-bromophenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)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-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
2-{[3-(4-bromophenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Compound characteristics
| Compound ID: | F288-0098 |
| Compound Name: | 2-{[3-(4-bromophenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide |
| Molecular Weight: | 529.45 |
| Molecular Formula: | C24 H25 Br N4 O3 S |
| Smiles: | CN1CCC2(CC1)N=C(C(=N2)SCC(Nc1ccc2c(c1)OCCO2)=O)c1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.6178 |
| logD: | 0.129 |
| logSw: | -3.1414 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.53 |
| InChI Key: | ZGOMPGWCQMCHJL-UHFFFAOYSA-N |