Benzo(2,1-e:3,4-e')bis(1,3)oxazine, 1,2,3,8,9,10-hexahydro-2,9-dibenzyl-

HCID 96754

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Basic information

CAS: 73698-53-0
Standard SMILES: c1ccc(CN2COc3ccc4c(c3C2)CN(Cc2ccccc2)CO4)cc1
InChIKey: SZQLABXYFDDCOE-UHFFFAOYSA-N
Molecular formula: C24H24N2O2
Average molar mass: 372.5 g/mol
Monoisotopic mass: 372.18377801

Names & identifiers

Preferred name: Benzo(2,1-e:3,4-e')bis(1,3)oxazine, 1,2,3,8,9,10-hexahydro-2,9-dibenzyl-
IUPAC: 2,9-dibenzyl-1,3,8,10-tetrahydro-[1,3]oxazino[5,6-f][1,3]benzoxazine

Names & synonyms

NSC 8884673698-53-0BRN 06285532,9-Dibenzyl-1,2,3,8,9,10-hexahydrobenzo(2,1-e:3,4-e')bis(1,3)oxazineBenzo(2,1-e:3,4-e')bis(1,3)oxazine, 1,2,3,8,9,10-hexahydro-2,9-dibenzyl-Benzo(2,1-e:3,4-e')bis(1,3)oxazine, 2,9-dibenzyl-1,2,3,8,9,10-hexahydro-Benzo(2,1-e:3,4-e')bis(1,3)oxazine, 1,2,3,8,9,10-hexahydro-2,9-bis(phenylmethyl)-RefChem:326026Benzo(2,1-e:3,4-e')bis(1,3)oxazine, 1,2,3,8,9,10-hexahydro-2,9-bis(phenylmethyl)-(9CI)NSC888462,9-dibenzyl-1,2,3,8,9,10-hexahydrobenzo[1,2-e:6,5-e']bis[1,3]oxazineNCIOpen2_009780

Show more names

DTXSID00994556NSC-88846WLN: T B666 DN FO KO MNT&TJ D1R& M1R2,2,3,8,9,10-hexahydrobenzo[2,1-e:3,4-e']bis[1,3]oxazineBenzo[2,4-e']bis[1,3]oxazine, 1,2,3,8,9,10-hexahydro-2,9-dibenzyl-Benzo[2,4-e']bis[1,3]oxazine, 2,9-dibenzyl-1,2,3,8,9,10-hexahydro-Benzo[2,4-e']bis[1,3]oxazine, 1,2,3,8,9,10-hexahydro-2,9-bis(phenylmethyl)-

Database identifiers

CAS: 73698-53-0

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 24.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 28
Formal charge: 0
Complexity: 445

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