[6-(aziridin-1-yl)-3-carbamoyloxy-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methyl carbamate
Basic information
- CAS
78776-17-7- Standard SMILES
CC1=C(N2CC2)C(=O)c2c(COC(N)=O)c3n(c2C1=O)CCC3OC(N)=O- InChIKey
ZPIUHJOARVBJAG-UHFFFAOYSA-N- Molecular formula
- C17H18N4O6
- Average molar mass
- 374.3 g/mol
- Monoisotopic mass
- 374.12263431
Names & identifiers
- Preferred name
- [6-(aziridin-1-yl)-3-carbamoyloxy-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methyl carbamate
- IUPAC
- [6-(aziridin-1-yl)-3-carbamoyloxy-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methyl carbamate
Names & synonyms
NSC-33826778776-17-7NSC338267CHEMBL274945DTXSID40318974[7-(Aziridin-1-yl)-1-(carbamoyloxy)-6-methyl-5,8-dioxo-2,3,5,8-tetrahydro-1H-pyrrolo[1,2-a]indol-9-yl]methyl carbamate1H-Pyrrolo[1,8-dione, 1[(aminocarbonyl)oxy]-9-[[(aminocarabonyl)oxy]methyl]-7-(1-aziridinyl)-2,3-dihydro-6-methyl-
Database identifiers
- CAS
78776-17-7- PubChem CID
- 334046
- DTXSID
DTXSID40318974- ChEMBL
CHEMBL274945
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 761
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Compound notes
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