TL;DR: Propanediamide, N,N-bis(2-methylpropyl)-N'-((4-methoxyphenyl)thioxomethyl)- (CAS 152093-65-7) is a chemical compound with molecular formula C19H28N2O3S and molecular weight 364.18207 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(4-methoxybenzenecarbothioyl)-N',N'-bis(2-methylpropyl)propanediamide
Also Known As: N',N'-Diisobutyl-N-para-methoxythiobenzoylmalonodiamide, N,N-Bis(2-methylpropyl)-N'-((4-methoxyphenyl)thioxomethyl)propanediamide, Propanediamide, N,N-bis(2-methylpropyl)-N'-((4-methoxyphenyl)thioxomethyl)-, N-(4-methoxybenzenecarbothioyl)-N',N'-bis(2-methylpropyl)propanediamide, 3-[Bis(2-methylpropyl)amino]-N-(4-methoxybenzene-1-carbothioyl)-3-oxopropanimidic acid
| Molecular Formula | C19H28N2O3S |
| Molecular Weight | 364.18207 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 90.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 364.18207 Da |
| Heavy Atoms | 25 |
| Complexity | 448.0 |
| SMILES | CC(C)CN(CC(C)C)C(=O)CC(=O)NC(=S)C1=CC=C(C=C1)OC |
| InChIKey | OQXVJEKXIYBDNH-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that Propanediamide, N,N-bis(2-methylpropyl)-N'-((4-methoxyphenyl)thioxomethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanediamide, N,N-bis(2-methylpropyl)-N'-((4-methoxyphenyl)thioxomethyl)-. Following Lipinski's Rule of Five, Propanediamide, N,N-bis(2-methylpropyl)-N'-((4-methoxyphenyl)thioxomethyl)- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Propanediamide, N,N-bis(2-methylpropyl)-N'-((4-methoxyphenyl)thioxomethyl)- is 152093-65-7.
The molecular formula of Propanediamide, N,N-bis(2-methylpropyl)-N'-((4-methoxyphenyl)thioxomethyl)- is C19H28N2O3S.
The molecular weight of Propanediamide, N,N-bis(2-methylpropyl)-N'-((4-methoxyphenyl)thioxomethyl)- is 364.18207 g/mol.
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