N-(2H-1,3-benzodioxol-5-yl)-2-{[3-(4-bromophenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{[3-(4-bromophenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{[3-(4-bromophenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | F288-0099 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[3-(4-bromophenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 515.43 |
| Molecular Formula: | C23 H23 Br N4 O3 S |
| Smiles: | CN1CCC2(CC1)N=C(C(=N2)SCC(Nc1ccc2c(c1)OCO2)=O)c1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.4783 |
| logD: | 0.9896 |
| logSw: | -3.8386 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.822 |
| InChI Key: | KEUGZCPAHXQVIE-UHFFFAOYSA-N |