(adamantan-1-yl)(5-benzyl-5H-1-thia-3,4,5,8-tetraazaacenaphthylen-2-yl)methanone
Chemical Structure Depiction of
(adamantan-1-yl)(5-benzyl-5H-1-thia-3,4,5,8-tetraazaacenaphthylen-2-yl)methanone
(adamantan-1-yl)(5-benzyl-5H-1-thia-3,4,5,8-tetraazaacenaphthylen-2-yl)methanone
Compound characteristics
| Compound ID: | 4286-0020 |
| Compound Name: | (adamantan-1-yl)(5-benzyl-5H-1-thia-3,4,5,8-tetraazaacenaphthylen-2-yl)methanone |
| Molecular Weight: | 428.56 |
| Molecular Formula: | C25 H24 N4 O S |
| Smiles: | C1C2CC3CC1CC(C2)(C3)C(c1c2c3c(ccnc3s1)n(Cc1ccccc1)nn2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9107 |
| logD: | 5.9104 |
| logSw: | -6.1934 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.069 |
| InChI Key: | ZCLNZGAKEDGDLB-UHFFFAOYSA-N |