2-(6,9-Dioxo-17-thia-2,5,8-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,11(16)-trien-5-yl)ethyl 2-chloroacetate
Basic information
- CAS
63743-64-6- Standard SMILES
O=C(CCl)OCCN1Cc2nc3sc4c(c3c(=O)n2CC1=O)CCCC4- InChIKey
KOSRAWXQWDMKCO-UHFFFAOYSA-N- Molecular formula
- C17H18ClN3O4S
- Average molar mass
- 395.9 g/mol
- Monoisotopic mass
- 395.0706549
Names & identifiers
- Preferred name
- 2-(6,9-Dioxo-17-thia-2,5,8-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,11(16)-trien-5-yl)ethyl 2-chloroacetate
- IUPAC
- 2-(6,9-dioxo-17-thia-2,5,8-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,11(16)-trien-5-yl)ethyl 2-chloroacetate
Names & synonyms
NSC30551563743-64-6DTXSID203166702-(dioxo[?]yl)ethyl 2-chloroacetateAKOS000282258NSC-3055152-(3,6-Dioxo-1,3,4,6,7,8,9,10-octahydro-2H-[1]benzothieno[2,3-d]pyrazino[1,2-a]pyrimidin-2-yl)ethyl chloroacetateAcetic acid, chloro-, 2-(1,3,4,6,7,8,9,10-octahydro-3,6-dioxo-2H-[1]benzothieno[2,3-d]pyrazino[1,2-a]pyrimidin-2-yl)ethyl ester
Database identifiers
- CAS
63743-64-6- PubChem CID
- 328078
- DTXSID
DTXSID20316670
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 658
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Related reactions
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Compound notes
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