methyl 3-acetyl-1-(4-bromophenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate
Chemical Structure Depiction of
methyl 3-acetyl-1-(4-bromophenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate
methyl 3-acetyl-1-(4-bromophenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate
Compound characteristics
| Compound ID: | D040-0426 |
| Compound Name: | methyl 3-acetyl-1-(4-bromophenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate |
| Molecular Weight: | 504.42 |
| Molecular Formula: | C21 H18 Br N3 O3 S2 |
| Smiles: | CC1=C(C(=O)OC)SC2(N1c1ccccc1)N(c1ccc(cc1)[Br])N=C(C(C)=O)S2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0157 |
| logD: | 5.0157 |
| logSw: | -4.7443 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 50.457 |
| InChI Key: | DZJGGXMYKNYIHE-NRFANRHFSA-N |