N-[5-(adamantan-1-yl)-1,3,4-thiadiazol-2-yl]-5-chloro-2-nitrobenzamide
Chemical Structure Depiction of
N-[5-(adamantan-1-yl)-1,3,4-thiadiazol-2-yl]-5-chloro-2-nitrobenzamide
N-[5-(adamantan-1-yl)-1,3,4-thiadiazol-2-yl]-5-chloro-2-nitrobenzamide
Compound characteristics
| Compound ID: | 2513-0929 |
| Compound Name: | N-[5-(adamantan-1-yl)-1,3,4-thiadiazol-2-yl]-5-chloro-2-nitrobenzamide |
| Molecular Weight: | 418.9 |
| Molecular Formula: | C19 H19 Cl N4 O3 S |
| Smiles: | C1C2CC3CC1CC(C2)(C3)c1nnc(NC(c2cc(ccc2[N+]([O-])=O)[Cl])=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.7123 |
| logD: | 1.7535 |
| logSw: | -6.0475 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.717 |
| InChI Key: | FRBDHOGVQPSFBY-UHFFFAOYSA-N |