1,1'-[1-(4-bromophenyl)-8,9-dimethyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-diyl]di(ethan-1-one)
Chemical Structure Depiction of
1,1'-[1-(4-bromophenyl)-8,9-dimethyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-diyl]di(ethan-1-one)
1,1'-[1-(4-bromophenyl)-8,9-dimethyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-diyl]di(ethan-1-one)
Compound characteristics
| Compound ID: | D040-0007 |
| Compound Name: | 1,1'-[1-(4-bromophenyl)-8,9-dimethyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-diyl]di(ethan-1-one) |
| Molecular Weight: | 426.35 |
| Molecular Formula: | C16 H16 Br N3 O2 S2 |
| Smiles: | CC1=C(C(C)=O)SC2(N1C)N(c1ccc(cc1)[Br])N=C(C(C)=O)S2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5937 |
| logD: | 3.5937 |
| logSw: | -3.6946 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 43.758 |
| InChI Key: | MSYVHAAKNGBLEV-INIZCTEOSA-N |