AA97886
182349-12-8 | (2E)-but-2-enedioic acid; 13-chloro-2-{1-[(5-methylpyridin-3-yl)methyl]piperidin-4-ylidene}-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaene
Manufacturer: A2B Chem
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CatalogNumber
AA97886
ChemicalName
(2E)-but-2-enedioic acid; 13-chloro-2-{1-[(5-methylpyridin-3-yl)methyl]piperidin-4-ylidene}-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaene
CasNumber
182349-12-8
MolecularFormula
C30H30ClN3O4
MolecularWeight
532.0299
MdlNumber
MFCD00926499
Smiles
Cc1cncc(c1)CN1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1.OC(=O)/C=C/C(=O)O
Complexity
728
Covalently-bondedUnitCount
2
DefinedBondStereocenterCount
1
HeavyAtomCount
38
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
2
RotatableBondCount
4
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CatalogNumber: AA97886
ChemicalName: (2E)-but-2-enedioic acid; 13-chloro-2-{1-[(5-methylpyridin-3-yl)methyl]piperidin-4-ylidene}-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaene
CasNumber: 182349-12-8
MolecularFormula: C30H30ClN3O4
MolecularWeight: 532.0299
MdlNumber: MFCD00926499
Smiles: Cc1cncc(c1)CN1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1.OC(=O)/C=C/C(=O)O
Complexity: 728
Covalently-bondedUnitCount: 2
DefinedBondStereocenterCount: 1
HeavyAtomCount: 38
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 4
CatalogNumber:
AA97886
ChemicalName:
(2E)-but-2-enedioic acid; 13-chloro-2-{1-[(5-methylpyridin-3-yl)methyl]piperidin-4-ylidene}-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaene
CasNumber:
182349-12-8
MolecularFormula:
C30H30ClN3O4
MolecularWeight:
532.0299
MdlNumber:
MFCD00926499
Smiles:
Cc1cncc(c1)CN1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1.OC(=O)/C=C/C(=O)O
Complexity:
728
Covalently-bondedUnitCount:
2
DefinedBondStereocenterCount:
1
HeavyAtomCount:
38
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1cccc2c1c1ccccc1o2
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1cccc2c1c1ccccc1o2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1ccc(c(c1)Br)Oc1ccc(c(c1Br)Br)Br
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1ccc(c(c1)Br)Oc1ccc(c(c1Br)Br)Br
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AA97892
ChemicalName: 1-BOC-5-bromoindole
CasNumber: 182344-70-3
MolecularFormula: C13H14BrNO2
MolecularWeight: 296.1598
MdlNumber: MFCD02090067
Smiles: Brc1ccc2c(c1)ccn2C(=O)OC(C)(C)C
Complexity: 300
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 2
CatalogNumber:
AA97892
ChemicalName:
1-BOC-5-bromoindole
CasNumber:
182344-70-3
MolecularFormula:
C13H14BrNO2
MolecularWeight:
296.1598
MdlNumber:
MFCD02090067
Smiles:
Brc1ccc2c(c1)ccn2C(=O)OC(C)(C)C
Complexity:
300
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
2