N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{4-[(4H-1,2,4-triazol-4-yl)methyl]anilino}-1,3-thiazole-4-carboxamide
Chemical Structure Depiction of
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{4-[(4H-1,2,4-triazol-4-yl)methyl]anilino}-1,3-thiazole-4-carboxamide
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{4-[(4H-1,2,4-triazol-4-yl)methyl]anilino}-1,3-thiazole-4-carboxamide
Compound characteristics
| Compound ID: | Y043-1005 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{4-[(4H-1,2,4-triazol-4-yl)methyl]anilino}-1,3-thiazole-4-carboxamide |
| Molecular Weight: | 408.52 |
| Molecular Formula: | C21 H24 N6 O S |
| Smiles: | C1CCC(CCNC(c2csc(Nc3ccc(Cn4cnnc4)cc3)n2)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 3.3593 |
| logD: | 3.3593 |
| logSw: | -3.561 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.501 |
| InChI Key: | KGFZWHARWKUBGP-UHFFFAOYSA-N |