[3-(4-bromophenyl)-2-sulfanylidene-1,4-diazaspiro[4.6]undec-3-en-1-yl](3,4,5-trimethoxyphenyl)methanone
Chemical Structure Depiction of
[3-(4-bromophenyl)-2-sulfanylidene-1,4-diazaspiro[4.6]undec-3-en-1-yl](3,4,5-trimethoxyphenyl)methanone
[3-(4-bromophenyl)-2-sulfanylidene-1,4-diazaspiro[4.6]undec-3-en-1-yl](3,4,5-trimethoxyphenyl)methanone
Compound characteristics
| Compound ID: | C250-0624 |
| Compound Name: | [3-(4-bromophenyl)-2-sulfanylidene-1,4-diazaspiro[4.6]undec-3-en-1-yl](3,4,5-trimethoxyphenyl)methanone |
| Molecular Weight: | 531.47 |
| Molecular Formula: | C25 H27 Br N2 O4 S |
| Smiles: | COc1cc(cc(c1OC)OC)C(N1C(C(c2ccc(cc2)[Br])=NC12CCCCCC2)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3549 |
| logD: | 5.3549 |
| logSw: | -5.2047 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 47.114 |
| InChI Key: | JIZSHTJBDQAVGX-UHFFFAOYSA-N |