Methyl 3-(3-{[bis(aziridin-1-yl)phosphoryl]amino}phenyl)-2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)propanoate-benzene(1:1)
Basic information
- CAS
6964-91-6- Standard SMILES
COC(=O)C(Cc1cccc(NP(=O)(N2CC2)N2CC2)c1)N1C(=O)c2ccccc2C1=O.c1ccccc1- InChIKey
COSQHPHBOUBMCV-UHFFFAOYSA-N- Molecular formula
- C28H29N4O5P
- Average molar mass
- 532.5 g/mol
- Monoisotopic mass
- 532.18755704
Names & identifiers
- Preferred name
- Methyl 3-(3-{[bis(aziridin-1-yl)phosphoryl]amino}phenyl)-2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)propanoate-benzene(1:1)
- IUPAC
- benzene;methyl 3-[3-[bis(aziridin-1-yl)phosphorylamino]phenyl]-2-(1,3-dioxoisoindol-2-yl)propanoate
Names & synonyms
6964-91-6NSC67047methyl 3-(3-{[bis(aziridin-1-yl)phosphoryl]amino}phenyl)-2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)propanoate- benzene(1:1)DTXSID00290146NSC-67047Methyl 3-(3-{[bis(aziridin-1-yl)phosphoryl]amino}phenyl)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate--benzene (1/1)
Database identifiers
- CAS
6964-91-6- PubChem CID
- 249086
- DTXSID
DTXSID00290146
Properties
Computed structural properties
- Topological polar surface area
- 98.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 805
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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