AA79249
157212-55-0 | 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-(pyrimidin-2-yl)pyrimidin-4-yl]benzene-1-sulfonamide hydrate
Manufacturer: A2B Chem
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CatalogNumber
AA79249
ChemicalName
4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-(pyrimidin-2-yl)pyrimidin-4-yl]benzene-1-sulfonamide hydrate
CasNumber
157212-55-0
MolecularFormula
C27H31N5O7S
MolecularWeight
569.6293
MdlNumber
MFCD09751188
Smiles
OCCOc1nc(nc(c1Oc1ccccc1OC)NS(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ncccn1.O
Complexity
839
Covalently-bondedUnitCount
2
HeavyAtomCount
40
HydrogenBondAcceptorCount
12
HydrogenBondDonorCount
3
RotatableBondCount
11
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CatalogNumber: AA79249
ChemicalName: 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-(pyrimidin-2-yl)pyrimidin-4-yl]benzene-1-sulfonamide hydrate
CasNumber: 157212-55-0
MolecularFormula: C27H31N5O7S
MolecularWeight: 569.6293
MdlNumber: MFCD09751188
Smiles: OCCOc1nc(nc(c1Oc1ccccc1OC)NS(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ncccn1.O
Complexity: 839
Covalently-bondedUnitCount: 2
HeavyAtomCount: 40
HydrogenBondAcceptorCount: 12
HydrogenBondDonorCount: 3
RotatableBondCount: 11
CatalogNumber:
AA79249
ChemicalName:
4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-(pyrimidin-2-yl)pyrimidin-4-yl]benzene-1-sulfonamide hydrate
CasNumber:
157212-55-0
MolecularFormula:
C27H31N5O7S
MolecularWeight:
569.6293
MdlNumber:
MFCD09751188
Smiles:
OCCOc1nc(nc(c1Oc1ccccc1OC)NS(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ncccn1.O
Complexity:
839
Covalently-bondedUnitCount:
2
HeavyAtomCount:
40
HydrogenBondAcceptorCount:
12
HydrogenBondDonorCount:
3
RotatableBondCount:
11
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)Nc1ccc2c(c1)nc1c(c2)ccc(c1)NC(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)Nc1ccc2c(c1)nc1c(c2)ccc(c1)NC(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AA79251
ChemicalName: 4-Nitrobenzimidamide, HCl
CasNumber: 15723-90-7
MolecularFormula: C7H8ClN3O2
MolecularWeight: 201.6103
MdlNumber: MFCD00278833
Smiles: NC(=N)c1ccc(cc1)[N+](=O)[O-].Cl
Complexity: 191
Covalently-bondedUnitCount: 2
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 3
RotatableBondCount: 1
CatalogNumber:
AA79251
ChemicalName:
4-Nitrobenzimidamide, HCl
CasNumber:
15723-90-7
MolecularFormula:
C7H8ClN3O2
MolecularWeight:
201.6103
MdlNumber:
MFCD00278833
Smiles:
NC(=N)c1ccc(cc1)[N+](=O)[O-].Cl
Complexity:
191
Covalently-bondedUnitCount:
2
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
3
RotatableBondCount:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(c1ccc(cc1)Nc1ccc(cc1)C(CC(C)(C)C)(C)C)(CC(C)(C)C)C
Complexity: 439
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(c1ccc(cc1)Nc1ccc(cc1)C(CC(C)(C)C)(C)C)(CC(C)(C)C)C
Complexity:
439
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__