N-[5-(adamantan-1-yl)-1,3-thiazol-2-yl]-2-{[4-amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[5-(adamantan-1-yl)-1,3-thiazol-2-yl]-2-{[4-amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-[5-(adamantan-1-yl)-1,3-thiazol-2-yl]-2-{[4-amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8014-2575 |
| Compound Name: | N-[5-(adamantan-1-yl)-1,3-thiazol-2-yl]-2-{[4-amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 535.52 |
| Molecular Formula: | C23 H24 Cl2 N6 O S2 |
| Smiles: | C1C2CC3CC1CC(C2)(C3)c1cnc(NC(CSc2nnc(c3ccc(cc3[Cl])[Cl])n2N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.4359 |
| logD: | 6.4306 |
| logSw: | -6.4455 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 75.619 |
| InChI Key: | MKENCBJQLTZIGA-UHFFFAOYSA-N |