| CAS Number | 896579-91-2 |
| Catalog Number | AG00IFSJ(AGN-PC-0WQYF9) |
| Chemical Name | methyl 2-(3-(2-methoxybenzyl)ureido)benzoate |
| IUPAC Name | methyl 2-[(2-methoxyphenyl)methylcarbamoylamino]benzoate |
| InChI | InChI=1S/C17H18N2O4/c1-22-15-10-6-3-7-12(15)11-18-17(21)19-14-9-5-4-8-13(14)16(20)23-2/h3-10H,11H2,1-2H3,(H2,18,19,21) |
| InChI Key | NXPXGJPKTFXGPE-UHFFFAOYSA-N |
| MDL Number | MFCD05077857 |
| Molecular Formula | C17H18N2O4 |
| Molecular Weight | 314.3358 |
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)NCC1=CC=CC=C1OC |
| Synonyms | METHYL 2-(3-(2-METHOXYBENZYL)UREIDO)BENZOATE,
896579-91-2,
AC1MZB11,
Oprea1_244129,
Methyl 2-[(2-methoxyphenyl)methylcarbamoylamino]benzoate,
AR3377,
MFCD05077857,
ZINC35287494,
AKOS027334989,
AS-45595,
CID3869722,
|
| Complexity | 402 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 314.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 314.341g/mol |
| Monoisotopic Mass | 314.127g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 76.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number