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Basic information
- Standard SMILES
O=C(CCCN1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1)c1cc2c(s1)SCCNC2=O- InChIKey
YELXDPPWWBKDLP-UHFFFAOYSA-N- Molecular formula
- C28H29Cl2N3O2S2
- Average molar mass
- 574.6 g/mol
- Monoisotopic mass
- 573.1078249
Names & identifiers
- Preferred name
- 7-(4-(4-(bis(4-chlorophenyl)-methyl)piperazin-1-yl)butyryl)-2,3-dihydrothieno[3,2-f][1,4]thiazepin-5(4H)-one
- IUPAC
- 7-[4-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]butanoyl]-3,4-dihydro-2H-thieno[3,2-f][1,4]thiazepin-5-one
Names & synonyms
SCHEMBL8991854YELXDPPWWBKDLP-UHFFFAOYSA-N7-(4-(4-(bis(4-chlorophenyl)-methyl)piperazin-1-yl)butyryl)-2,3-dihydrothieno[3,2-f][1,4]thiazepin-5(4H)-one7-(4-(4-(bis(4-chlorophenyl)methyl)piperazin-1-yl)butyryl)-2,3-dihydrothieno[3,2-f][1,4]thiazepin-5(4H)-one
Database identifiers
- PubChem CID
- 21471978
Properties
Computed structural propertiesFilling in
- XLogP
- 6.1
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 747
Related reactions
3 records
Compound notes
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