2-{[3-(4-bromophenyl)-1,4-diazaspiro[4.6]undeca-1,3-dien-2-yl]sulfanyl}-N-(2,5-dimethoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[3-(4-bromophenyl)-1,4-diazaspiro[4.6]undeca-1,3-dien-2-yl]sulfanyl}-N-(2,5-dimethoxyphenyl)acetamide
2-{[3-(4-bromophenyl)-1,4-diazaspiro[4.6]undeca-1,3-dien-2-yl]sulfanyl}-N-(2,5-dimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | C250-0599 |
| Compound Name: | 2-{[3-(4-bromophenyl)-1,4-diazaspiro[4.6]undeca-1,3-dien-2-yl]sulfanyl}-N-(2,5-dimethoxyphenyl)acetamide |
| Molecular Weight: | 530.48 |
| Molecular Formula: | C25 H28 Br N3 O3 S |
| Smiles: | COc1ccc(c(c1)NC(CSC1C(c2ccc(cc2)[Br])=NC2(CCCCCC2)N=1)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 5.3515 |
| logD: | 5.3511 |
| logSw: | -5.1961 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.038 |
| InChI Key: | NXWIAUQAZBMEHA-UHFFFAOYSA-N |