Basic information
- Standard SMILES
COC(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2)cc1- InChIKey
HRRNDHFMTPCCMO-UHFFFAOYSA-N- Molecular formula
- C26H29N7O5
- Average molar mass
- 519.6 g/mol
Names & identifiers
- Preferred name
- Methyl 4-[({4-[bis(morpholin-4-yl)-1,3,5-triazin-2-yl]phenyl}carbamoyl)amino]benzoate
- IUPAC
- methyl 4-[[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]benzoate
Names & synonyms
1197160-55-6methyl 4-[({4-[bis(morpholin-4-yl)-1,3,5-triazin-2-yl]phenyl}carbamoyl)amino]benzoateCHEMBL599259methyl 4-[[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]benzoateMethyl 4-[3-[4-(4,6-Dimorpholino-1,3,5-triazin-2-yl)phenyl]ureido]benzoatemethyl 4-(3-(4-(4,6-dimorpholino-1,3,5-triazin-2-yl)phenyl)ureido)benzoateSCHEMBL32238HRRNDHFMTPCCMO-UHFFFAOYSA-NBDBM50308153MFCD16875677AKOS005766011EE-0043
Show more names
SY3168714-(3-(4-(4,6-Dimorpholino-1,3,5-triazin-2-yl)phenyl)ureido)benzoatemethyl4-[({4-[bis(morpholin-4-yl)-1,3,5-triazin-2-yl]phenyl}carbamoyl)amino]benzoateBenzoic acid,4-[[[[4-(4,6-di-4-morpholinyl-1,3,5-triazin-2-yl)phenyl]amino]carbonyl]amino]-,methyl ester
Database identifiers
- PubChem CID
- 44515696
- ChEMBL
CHEMBL599259
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 737
Related reactions
8 records
Compound notes
Loading…