N-(2-{[3-tert-butyl-1-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-N-[(furan-2-yl)methyl]adamantane-1-carboxamide
Chemical Structure Depiction of
N-(2-{[3-tert-butyl-1-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-N-[(furan-2-yl)methyl]adamantane-1-carboxamide
N-(2-{[3-tert-butyl-1-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-N-[(furan-2-yl)methyl]adamantane-1-carboxamide
Compound characteristics
| Compound ID: | V027-0839 |
| Compound Name: | N-(2-{[3-tert-butyl-1-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-N-[(furan-2-yl)methyl]adamantane-1-carboxamide |
| Molecular Weight: | 583.56 |
| Molecular Formula: | C31 H36 Cl2 N4 O3 |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1cc(NC(CN(Cc2ccco2)C(C23CC4CC(CC(C4)C3)C2)=O)=O)n(c2ccc(c(c2)[Cl])[Cl])n1 |
| Stereo: | ACHIRAL |
| logP: | 8.3102 |
| logD: | 8.3087 |
| logSw: | -6.5303 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.544 |
| InChI Key: | VERWQZXIDQSRRD-UHFFFAOYSA-N |