CBMicro_039978
4-(3-iodophenyl)-6-methyl-N-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
Also Known As: CBMicro_039978|BIM-0039832.P001|SR-01000224874-1|4-(3-iodophenyl)-6-methyl-N-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide|4-(3-iodophenyl)-6-methyl-N-phenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide|4-(3-Iodophenyl)-6-methyl-N-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide|4-(3-IODOPHENYL)-6-METHYL-N~5~-PHENYL-2-THIOXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBOXAMIDE
| Molecular Formula | C18H16IN3OS |
|---|---|
| Molecular Weight | 449.0059 g/mol |
| LogP | 3.7227 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 449.0059 |
| Monoisotopic Mass | 449.0059 |
| Heavy Atoms | 24 |
| Complexity | 820.0234 |
Chemical Identifiers
| CAS Number | 5986-18-5 |
|---|---|
| SMILES | CC1=C(C(NC(=S)N1)C2=CC(=CC=C2)I)C(=O)NC3=CC=CC=C3 |
Product Overview
CBMicro_039978 (CAS 5986-18-5), with molecular formula C18H16IN3OS and molecular weight 449.0059 g/mol. IUPAC: 4-(3-iodophenyl)-6-methyl-N-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide.
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