N,N,N-tributylbutan-1-aminium--2-(5,7-dioxo-6,7-dihydro-2H,5H-[1,3]dithiolo[4,5-d]pyrimidin-4-id-2-ylidene)-5,7-dioxo-6,7-dihydro-2H,5H-[1,3]dithiolo[4,5-d]pyrimidin-4-ide (2/1)
Chemical Structure Depiction of
N,N,N-tributylbutan-1-aminium--2-(5,7-dioxo-6,7-dihydro-2H,5H-[1,3]dithiolo[4,5-d]pyrimidin-4-id-2-ylidene)-5,7-dioxo-6,7-dihydro-2H,5H-[1,3]dithiolo[4,5-d]pyrimidin-4-ide (2/1)
N,N,N-tributylbutan-1-aminium--2-(5,7-dioxo-6,7-dihydro-2H,5H-[1,3]dithiolo[4,5-d]pyrimidin-4-id-2-ylidene)-5,7-dioxo-6,7-dihydro-2H,5H-[1,3]dithiolo[4,5-d]pyrimidin-4-ide (2/1)
Compound characteristics
| Compound ID: | 8016-5844 |
| Compound Name: | N,N,N-tributylbutan-1-aminium--2-(5,7-dioxo-6,7-dihydro-2H,5H-[1,3]dithiolo[4,5-d]pyrimidin-4-id-2-ylidene)-5,7-dioxo-6,7-dihydro-2H,5H-[1,3]dithiolo[4,5-d]pyrimidin-4-ide (2/1) |
| Molecular Weight: | 855.34 |
| Molecular Formula: | C10 H2 N4 O4 S4 |
| Salt: | 2(C4H9)4N+ |
| Smiles: | C12=C([N-]C(NC1=O)=O)SC(=C1/SC3=C([N-]C(NC3=O)=O)S1)\S2 |
| Stereo: | ACHIRAL |
| logP: | 1.2603 |
| logD: | 1.2603 |
| logSw: | -1.7761 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.679 |
| InChI Key: | ADNYKZZXQBYYPK-BQYQJAHWSA-L |