AE81485
1700693-08-8 | (4-((5-Chloro-4-(methylamino)-7h-pyrrolo[2,3-d]pyrimidin-2-yl)amino)-3-methoxyphenyl)(morpholino)methanone
Manufacturer: A2B Chem
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CatalogNumber
AE81485
ChemicalName
(4-((5-Chloro-4-(methylamino)-7h-pyrrolo[2,3-d]pyrimidin-2-yl)amino)-3-methoxyphenyl)(morpholino)methanone
CasNumber
1700693-08-8
MolecularFormula
C19H21ClN6O3
MolecularWeight
416.86143999999985
MdlNumber
MFCD28975160
Smiles
COc1cc(ccc1Nc1nc(NC)c2c(n1)[nH]cc2Cl)C(=O)N1CCOCC1
Complexity
566
Covalently-bondedUnitCount
1
HeavyAtomCount
29
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
3
RotatableBondCount
5
Xlogp3
2.5
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CatalogNumber: AE81485
ChemicalName: (4-((5-Chloro-4-(methylamino)-7h-pyrrolo[2,3-d]pyrimidin-2-yl)amino)-3-methoxyphenyl)(morpholino)methanone
CasNumber: 1700693-08-8
MolecularFormula: C19H21ClN6O3
MolecularWeight: 416.86143999999985
MdlNumber: MFCD28975160
Smiles: COc1cc(ccc1Nc1nc(NC)c2c(n1)[nH]cc2Cl)C(=O)N1CCOCC1
Complexity: 566
Covalently-bondedUnitCount: 1
HeavyAtomCount: 29
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 3
RotatableBondCount: 5
Xlogp3: 2.5
CatalogNumber:
AE81485
ChemicalName:
(4-((5-Chloro-4-(methylamino)-7h-pyrrolo[2,3-d]pyrimidin-2-yl)amino)-3-methoxyphenyl)(morpholino)methanone
CasNumber:
1700693-08-8
MolecularFormula:
C19H21ClN6O3
MolecularWeight:
416.86143999999985
MdlNumber:
MFCD28975160
Smiles:
COc1cc(ccc1Nc1nc(NC)c2c(n1)[nH]cc2Cl)C(=O)N1CCOCC1
Complexity:
566
Covalently-bondedUnitCount:
1
HeavyAtomCount:
29
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
3
RotatableBondCount:
5
Xlogp3:
2.5
CatalogNumber: __
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Smiles: C=CC(=O)N1CCN(CC1)C(=O)CNc1cc(c(cc1OC)Cl)c1ccccc1Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
Xlogp3: __
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Smiles:
C=CC(=O)N1CCN(CC1)C(=O)CNc1cc(c(cc1OC)Cl)c1ccccc1Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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MolecularWeight: __
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Smiles: C=CC(=O)N1CC(C1)N1CCN(CC1)C(=O)CNc1cc(C2CC2)c(cc1O)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C=CC(=O)N1CC(C1)N1CCN(CC1)C(=O)CNc1cc(C2CC2)c(cc1O)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C=CC(=O)N1CCN(CC1)C(=O)c1cc(c(cc1OC)Cl)c1cc(Cl)ccc1Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C=CC(=O)N1CCN(CC1)C(=O)c1cc(c(cc1OC)Cl)c1cc(Cl)ccc1Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__