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| Duplicate ID | |
|---|---|
| Smiles | O=C(C1CCCN1S(=O)(=O)c1cccs1)N(c1nc2c(s1)cccc2)CCn1cccn1 |
| Cas Number | 1219418-20-8 |
| InchiKey | AQCYRJRIFYAKIT-UHFFFAOYSA-N |
| InChi | InChI=1S/C21H21N5O3S3/c27-20(17-7-3-12-26(17)32(28,29)19-9-4-15-30-19)25(14-13-24-11-5-10-22-24)21-23-16-6-1-2-8-18(16)31-21/h1-2,4-6,8-11,15,17H,3,7,12-14H2 |
| Formula | C21H21N5O3S3 |
| Molecular weight | 487.618 |
| Rings | 5 |
| logP | 4.4595 |
| PSA | 153.26 |
| MR | 129.819 |