TL;DR: ({[(3-METHOXYPHENYL)CARBAMOYL]METHYL}(METHYL)CARBAMOYL)METHYL PYRROLIDINE-1-CARBODITHIOATE (CAS 1031101-26-4) is a chemical compound with molecular formula C17H23N3O3S2 and molecular weight 381.11807 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] pyrrolidine-1-carbodithioate
Also Known As: ({[(3-METHOXYPHENYL)CARBAMOYL]METHYL}(METHYL)CARBAMOYL)METHYL PYRROLIDINE-1-CARBODITHIOATE, [2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] pyrrolidine-1-carbodithioate
| Molecular Formula | C17H23N3O3S2 |
| Molecular Weight | 381.11807 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 119.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 381.11807 Da |
| Heavy Atoms | 25 |
| Complexity | 484.0 |
| SMILES | CN(CC(=O)NC1=CC(=CC=C1)OC)C(=O)CSC(=S)N2CCCC2 |
| InChIKey | RVJSOFVIKCXACQ-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ({[(3-METHOXYPHENYL)CARBAMOYL]METHYL}(METHYL)CARBAMOYL)METHYL PYRROLIDINE-1-CARBODITHIOATE. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ({[(3-METHOXYPHENYL)CARBAMOYL]METHYL}(METHYL)CARBAMOYL)METHYL PYRROLIDINE-1-CARBODITHIOATE. Following Lipinski's Rule of Five, ({[(3-METHOXYPHENYL)CARBAMOYL]METHYL}(METHYL)CARBAMOYL)METHYL PYRROLIDINE-1-CARBODITHIOATE has 1 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 ({[(3-METHOXYPHENYL)CARBAMOYL]METHYL}(METHYL)CARBAMOYL)METHYL PYRROLIDINE-1-CARBODITHIOATE is 1031101-26-4.
The molecular formula of ({[(3-METHOXYPHENYL)CARBAMOYL]METHYL}(METHYL)CARBAMOYL)METHYL PYRROLIDINE-1-CARBODITHIOATE is C17H23N3O3S2.
The molecular weight of ({[(3-METHOXYPHENYL)CARBAMOYL]METHYL}(METHYL)CARBAMOYL)METHYL PYRROLIDINE-1-CARBODITHIOATE is 381.11807 g/mol.
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