Basic information
- Standard SMILES
O=C(Nc1ccc(C(=O)N2Cc3ccccc3Sc3ccccc32)cc1)c1ccc(Cl)cc1Cl- InChIKey
KSYPMTIZWJDGGY-UHFFFAOYSA-N- Molecular formula
- C27H18Cl2N2O2S
- Average molar mass
- 505.4 g/mol
Names & identifiers
- Preferred name
- N-[4-[(Dibenz[b,f] [1,4]thiazepin-10(11H)-yl)carbonyl]phenyl]-2,4-dichlorobenzamide
- IUPAC
- N-[4-(6H-benzo[b][1,4]benzothiazepine-5-carbonyl)phenyl]-2,4-dichlorobenzamide
Names & synonyms
SCHEMBL8562629KSYPMTIZWJDGGY-UHFFFAOYSA-NN-[4-[(Dibenz[b,f] [1,4]thiazepin-10(11H)-yl)carbonyl]phenyl]-2,4-dichlorobenzamideN-[4-[(Dibenz[b,f][1,4]thiazepin-10(11H)-yl)-carbonyl]phenyl]-2 4-dichlorobenzamideN-[4-[(Dibenz[b,f][1,4]thiazepin-10(11H)-yl)-carbonyl]phenyl]-2,4-dichlorobenzamideN-[4-[(Dibenz[b,f][1,4]thiazepin-10(11H)-yl)carbonyl]phenyl]-2,4-dichlorobenzamide
Database identifiers
- PubChem CID
- 67625596
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 74.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 731
Related reactions
10 records
Compound notes
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