methyl 1-(4-bromophenyl)-8-(4-ethylphenyl)-6-phenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7-diene-3-carboxylate
Chemical Structure Depiction of
methyl 1-(4-bromophenyl)-8-(4-ethylphenyl)-6-phenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7-diene-3-carboxylate
methyl 1-(4-bromophenyl)-8-(4-ethylphenyl)-6-phenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7-diene-3-carboxylate
Compound characteristics
| Compound ID: | 8014-0632 |
| Compound Name: | methyl 1-(4-bromophenyl)-8-(4-ethylphenyl)-6-phenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7-diene-3-carboxylate |
| Molecular Weight: | 549.49 |
| Molecular Formula: | C27 H25 Br N4 O2 S |
| Smiles: | CCc1ccc(cc1)C1CCC2(N(c3ccccc3)N=1)N(c1ccc(cc1)[Br])N=C(C(=O)OC)S2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.5168 |
| logD: | 7.5047 |
| logSw: | -5.8387 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.881 |
| InChI Key: | QIRUZDJJZIKJDK-HHHXNRCGSA-N |