1-[8-(4-ethylphenyl)-1-(3-nitrophenyl)-6-phenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7-dien-3-yl]ethan-1-one
Chemical Structure Depiction of
1-[8-(4-ethylphenyl)-1-(3-nitrophenyl)-6-phenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7-dien-3-yl]ethan-1-one
1-[8-(4-ethylphenyl)-1-(3-nitrophenyl)-6-phenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7-dien-3-yl]ethan-1-one
Compound characteristics
| Compound ID: | 8012-9501 |
| Compound Name: | 1-[8-(4-ethylphenyl)-1-(3-nitrophenyl)-6-phenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7-dien-3-yl]ethan-1-one |
| Molecular Weight: | 499.59 |
| Molecular Formula: | C27 H25 N5 O3 S |
| Smiles: | CCc1ccc(cc1)C1CCC2(N(c3ccccc3)N=1)N(c1cccc(c1)[N+]([O-])=O)N=C(C(C)=O)S2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3837 |
| logD: | 6.3418 |
| logSw: | -5.5694 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.915 |
| InChI Key: | VMSLSADPKGXYHE-HHHXNRCGSA-N |