AA82293
160098-96-4 | 4-(furan-2-yl)-10-(2-phenylethyl)-3,5,6,8,10,11-hexaazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-7-amine
Manufacturer: A2B Chem
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CatalogNumber
AA82293
ChemicalName
4-(furan-2-yl)-10-(2-phenylethyl)-3,5,6,8,10,11-hexaazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-7-amine
CasNumber
160098-96-4
MolecularFormula
C18H15N7O
MolecularWeight
345.358
MdlNumber
MFCD00933778
Smiles
Nc1nc2n(CCc3ccccc3)ncc2c2n1nc(n2)c1ccco1
Complexity
488
Covalently-bondedUnitCount
1
HeavyAtomCount
26
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
2.4
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CatalogNumber: AA82293
ChemicalName: 4-(furan-2-yl)-10-(2-phenylethyl)-3,5,6,8,10,11-hexaazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-7-amine
CasNumber: 160098-96-4
MolecularFormula: C18H15N7O
MolecularWeight: 345.358
MdlNumber: MFCD00933778
Smiles: Nc1nc2n(CCc3ccccc3)ncc2c2n1nc(n2)c1ccco1
Complexity: 488
Covalently-bondedUnitCount: 1
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.4
CatalogNumber:
AA82293
ChemicalName:
4-(furan-2-yl)-10-(2-phenylethyl)-3,5,6,8,10,11-hexaazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-7-amine
CasNumber:
160098-96-4
MolecularFormula:
C18H15N7O
MolecularWeight:
345.358
MdlNumber:
MFCD00933778
Smiles:
Nc1nc2n(CCc3ccccc3)ncc2c2n1nc(n2)c1ccco1
Complexity:
488
Covalently-bondedUnitCount:
1
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1c(OC)ccnc1C[S@@](=O)c1nc2c([nH]1)cc(cc2)OC(F)F.[Na]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1c(OC)ccnc1C[S@@](=O)c1nc2c([nH]1)cc(cc2)OC(F)F.[Na]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCc1cc(sc1Br)I
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCCc1cc(sc1Br)I
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA82297
ChemicalName: Dimethoxycurcumin
CasNumber: 160096-59-3
MolecularFormula: C23H24O6
MolecularWeight: 396.4331
MdlNumber: MFCD22123809
Smiles: COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(c(c2)OC)OC)ccc1OC
Complexity: 534
Covalently-bondedUnitCount: 1
HeavyAtomCount: 29
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: __
RotatableBondCount: 10
Xlogp3: 3.9
CatalogNumber:
AA82297
ChemicalName:
Dimethoxycurcumin
CasNumber:
160096-59-3
MolecularFormula:
C23H24O6
MolecularWeight:
396.4331
MdlNumber:
MFCD22123809
Smiles:
COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(c(c2)OC)OC)ccc1OC
Complexity:
534
Covalently-bondedUnitCount:
1
HeavyAtomCount:
29
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
__
RotatableBondCount:
10
Xlogp3:
3.9