13H-(1)Benzothieno(2',3':4,5)pyrimido(2,1-b)benzothiazol-13-one, 1,2,3,4-tetrahydro-
Basic information
- CAS
60943-08-0- Standard SMILES
O=c1c2c3c(sc2nc2sc4ccccc4n12)CCCC3- InChIKey
FHFLHCGBZMHCEJ-UHFFFAOYSA-N- Molecular formula
- C16H12N2OS2
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.03910536
Names & identifiers
- Preferred name
- 13H-(1)Benzothieno(2',3':4,5)pyrimido(2,1-b)benzothiazol-13-one, 1,2,3,4-tetrahydro-
- IUPAC
- 10,14-dithia-1,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-3(11),4(9),12,15,17,19-hexaen-2-one
Names & synonyms
BRN 102188113H-(1)Benzothieno(2',3':4,5)pyrimido(2,1-b)benzothiazol-13-one, 1,2,3,4-tetrahydro-60943-08-0DTXSID202097701,2,3,4-Tetrahydro-13H-(1)benzothieno(2',3':4,5)pyrimido(2,1-b)benzothiazol-13-oneRefChem:236537DTXCID70132261Oprea1_6306571,2,3,4-Tetrahydro-13H-[1]benzothieno[2',3':4,5]pyrimido[2,1-b][1,3]benzothiazol-13-one
Database identifiers
- CAS
60943-08-0- PubChem CID
- 3045507
- DTXSID
DTXSID20209770
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 86.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 509
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Compound notes
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