TL;DR: N-(3,4-dichlorophenyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide (CAS 1025019-09-3) is a chemical compound with molecular formula C21H20Cl2N4O5 and molecular weight 478.0811 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(3,4-dichlorophenyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide
Also Known As: N-(3,4-dichlorophenyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide, N-(3,4-dichlorophenyl)-2-(2-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)amino)-2-oxoethyl)-3-oxopiperazine-1-carboxamide, N-(2H,3H-benzo[3,4-e]1,4-dioxan-6-yl)-2-{1-[N-(3,4-dichlorophenyl)carbamoyl]-3 -oxopiperazin-2-yl}acetamide
| Molecular Formula | C21H20Cl2N4O5 |
| Molecular Weight | 478.0811 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 478.0811 Da |
| Heavy Atoms | 32 |
| Complexity | 714.0 |
| SMILES | C1CN(C(C(=O)N1)CC(=O)NC2=CC3=C(C=C2)OCCO3)C(=O)NC4=CC(=C(C=C4)Cl)Cl |
| InChIKey | MJZBCKNFOKPKHF-UHFFFAOYSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3,4-dichlorophenyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3,4-dichlorophenyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide. Following Lipinski's Rule of Five, N-(3,4-dichlorophenyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-(3,4-dichlorophenyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide is 1025019-09-3.
The molecular formula of N-(3,4-dichlorophenyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide is C21H20Cl2N4O5.
The molecular weight of N-(3,4-dichlorophenyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide is 478.0811 g/mol.
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