n'-[7-Chloro-5-(2-chlorophenyl)-2,3-dihydro-1-methyl-2-oxo-1h-1,4-benzodiazepin-3-yl]-n-methyl-n-[2-methyl-4-(4-morpholinyl)phenyl]thiourea
Basic information
- Standard SMILES
Cc1cc(N2CCOCC2)ccc1N(C)C(=S)NC1N=C(c2ccccc2Cl)c2cc(Cl)ccc2N(C)C1=O- InChIKey
ZIKMDBPUMWHXHG-UHFFFAOYSA-N- Molecular formula
- C29H29Cl2N5O2S
- Average molar mass
- 582.5 g/mol
Names & identifiers
- Preferred name
- n'-[7-Chloro-5-(2-chlorophenyl)-2,3-dihydro-1-methyl-2-oxo-1h-1,4-benzodiazepin-3-yl]-n-methyl-n-[2-methyl-4-(4-morpholinyl)phenyl]thiourea
- IUPAC
- 3-[7-chloro-5-(2-chlorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-1-methyl-1-(2-methyl-4-morpholin-4-ylphenyl)thiourea
Names & synonyms
SCHEMBL4825436ZIKMDBPUMWHXHG-UHFFFAOYSA-Nn'-[7-chloro-5-(2-chlorophenyl)-2,3-dihydro-1-methyl-2-oxo-1h-1,4-benzodiazepin-3-yl]-n-methyl-n-[2-methyl-4-(4-morpholinyl)phenyl]thiourea
Database identifiers
- PubChem CID
- 10312153
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 92.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 918
Related reactions
1 records
Compound notes
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