ethyl 3-acetyl-1-(4-bromophenyl)-8,9-dimethyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate
Chemical Structure Depiction of
ethyl 3-acetyl-1-(4-bromophenyl)-8,9-dimethyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate
ethyl 3-acetyl-1-(4-bromophenyl)-8,9-dimethyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate
Compound characteristics
| Compound ID: | D040-0061 |
| Compound Name: | ethyl 3-acetyl-1-(4-bromophenyl)-8,9-dimethyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate |
| Molecular Weight: | 456.38 |
| Molecular Formula: | C17 H18 Br N3 O3 S2 |
| Smiles: | CCOC(C1=C(C)N(C)C2(N(c3ccc(cc3)[Br])N=C(C(C)=O)S2)S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1951 |
| logD: | 4.1951 |
| logSw: | -4.1091 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 50.685 |
| InChI Key: | QYTSRKMCEXXKCQ-KRWDZBQOSA-N |