N-{1-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
Chemical Structure Depiction of
N-{1-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
N-{1-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
Compound characteristics
Compound ID: | C226-3415 |
Compound Name: | N-{1-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide |
Molecular Weight: | 384.86 |
Molecular Formula: | C20 H21 Cl N4 O2 |
Smiles: | Cc1c(c(C)n(Cc2ccc(cc2)[Cl])n1)NC(c1c2CCCCc2on1)=O |
Stereo: | ACHIRAL |
logP: | 2.9203 |
logD: | 2.9194 |
logSw: | -3.593 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 58.616 |
InChI Key: | ZKQSYGUGCAYPIF-UHFFFAOYSA-N |