Carbamic acid, (4-(9-acridinylamino)phenyl)-, methyl ester
Basic information
- CAS
64990-16-5- Standard SMILES
COC(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1- InChIKey
XPQUXNYKZKQDIQ-UHFFFAOYSA-N- Molecular formula
- C21H17N3O2
- Average molar mass
- 343.4 g/mol
- Monoisotopic mass
- 343.13207679
Names & identifiers
- Preferred name
- Carbamic acid, (4-(9-acridinylamino)phenyl)-, methyl ester
- IUPAC
- methyl N-[4-(acridin-9-ylamino)phenyl]carbamate
Names & synonyms
Carbamic acid, (4-(9-acridinylamino)phenyl)-, methyl ester64990-16-54-(9-Acridinylamino)phenylcarbamic acid, methyl esterMethyl (4-(9-acridinylamino)phenyl)carbamateDTXSID20215311RefChem:332098DTXCID20137802CHEMBL278384methyl N-(4-(9-acridinylamino)-phenyl)carbamateMethyl {4-[(acridin-9-yl)amino]phenyl}carbamate
Database identifiers
- CAS
64990-16-5- PubChem CID
- 149254
- DTXSID
DTXSID20215311- ChEMBL
CHEMBL278384- Nikkaji
- J458.732D
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 456
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…