9-{[(2-methylphenyl)methyl]sulfanyl}-7,11-bis(3-nitrophenyl)-2,4,8,10-tetraazaspiro[5.5]undec-8-ene-1,3,5-trione
Chemical Structure Depiction of
9-{[(2-methylphenyl)methyl]sulfanyl}-7,11-bis(3-nitrophenyl)-2,4,8,10-tetraazaspiro[5.5]undec-8-ene-1,3,5-trione
9-{[(2-methylphenyl)methyl]sulfanyl}-7,11-bis(3-nitrophenyl)-2,4,8,10-tetraazaspiro[5.5]undec-8-ene-1,3,5-trione
Compound characteristics
| Compound ID: | C202-0178 |
| Compound Name: | 9-{[(2-methylphenyl)methyl]sulfanyl}-7,11-bis(3-nitrophenyl)-2,4,8,10-tetraazaspiro[5.5]undec-8-ene-1,3,5-trione |
| Molecular Weight: | 574.57 |
| Molecular Formula: | C27 H22 N6 O7 S |
| Smiles: | Cc1ccccc1CSC1NC(c2cccc(c2)[N+]([O-])=O)C2(C(c3cccc(c3)[N+]([O-])=O)N=1)C(NC(NC2=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7357 |
| logD: | 4.4256 |
| logSw: | -4.5804 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 151.3 |
| InChI Key: | AAXDXXOKSULCPS-UHFFFAOYSA-N |