AC1NTX6S
3-(2-hydroxy-4,5-dimethylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide
Also Known As: 5-(2-hydroxy-4,5-dimethylphenyl)-N-[4-(morpholin-4-ylsulfonyl)phenyl]-1H-pyrazole-3-carboxamide|(5E)-5-(3,4-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-(4-morpholin-4-ylsulfonylphenyl)-1,2-dihydropyrazole-3-carboxamide|(5Z)-5-(3,4-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-(4-morpholin-4-ylsulfonylphenyl)-1,2-dihydropyrazole-3-carboxamide|3-(2-hydroxy-4,5-dimethylphenyl)-N-(4-(morpholinosulfonyl)phenyl)-1H-pyrazole-5-carboxamide|5-(3,4-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-(4-morpholin-4-ylsulfonylphenyl)-1,2-dihydropyrazole-3-carboxamide
| Molecular Formula | C22H24N4O5S |
|---|---|
| Molecular Weight | 456.14673 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 456.14673 |
| Monoisotopic Mass | 456.14673 |
| Heavy Atoms | 32 |
| Complexity | 746.0 |
Chemical Identifiers
| CAS Number | 879445-07-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C)O)C2=NNC(=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 |
| InChIKey | HEAATTRSDRGCPD-UHFFFAOYSA-N |
Product Overview
AC1NTX6S (CAS 879445-07-5), with molecular formula C22H24N4O5S and molecular weight 456.14673 g/mol. IUPAC: 3-(2-hydroxy-4,5-dimethylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide.
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