2-{[3-(4-bromophenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Chemical Structure Depiction of
2-{[3-(4-bromophenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
2-{[3-(4-bromophenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Compound characteristics
| Compound ID: | C250-0583 |
| Compound Name: | 2-{[3-(4-bromophenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide |
| Molecular Weight: | 500.41 |
| Molecular Formula: | C23 H22 Br N3 O3 S |
| Smiles: | C1CCC2(C1)N=C(C(=N2)SCC(Nc1ccc2c(c1)OCCO2)=O)c1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.643 |
| logD: | 3.643 |
| logSw: | -4.0035 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.419 |
| InChI Key: | HSXBRKYEEBFKHU-UHFFFAOYSA-N |