AB65591
4116-42-1 | 4-(2-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamido)-2-hydroxybenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB65591
ChemicalName
4-(2-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamido)-2-hydroxybenzoic acid
CasNumber
4116-42-1
MolecularFormula
C13H11N3O6
MolecularWeight
305.24294000000003
MdlNumber
MFCD22495132
Smiles
O=C(Cn1ccc(=O)[nH]c1=O)Nc1ccc(c(c1)O)C(=O)O
NscNumber
93033
Complexity
532
Covalently-bondedUnitCount
1
HeavyAtomCount
22
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
4
RotatableBondCount
4
Xlogp3
-0.2
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CatalogNumber: AB65591
ChemicalName: 4-(2-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamido)-2-hydroxybenzoic acid
CasNumber: 4116-42-1
MolecularFormula: C13H11N3O6
MolecularWeight: 305.24294000000003
MdlNumber: MFCD22495132
Smiles: O=C(Cn1ccc(=O)[nH]c1=O)Nc1ccc(c(c1)O)C(=O)O
NscNumber: 93033
Complexity: 532
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 4
RotatableBondCount: 4
Xlogp3: -0.2
CatalogNumber:
AB65591
ChemicalName:
4-(2-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamido)-2-hydroxybenzoic acid
CasNumber:
4116-42-1
MolecularFormula:
C13H11N3O6
MolecularWeight:
305.24294000000003
MdlNumber:
MFCD22495132
Smiles:
O=C(Cn1ccc(=O)[nH]c1=O)Nc1ccc(c(c1)O)C(=O)O
NscNumber:
93033
Complexity:
532
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
4
RotatableBondCount:
4
Xlogp3:
-0.2
CatalogNumber: AB65592
ChemicalName: Pteroic acid
CasNumber: 119-24-4
MolecularFormula: C14H12N6O3
MolecularWeight: 312.2835
MdlNumber: MFCD27967230
Smiles: OC(=O)c1ccc(cc1)NCc1cnc2c(n1)c(=O)[nH]c(n2)N
NscNumber: 14972
Complexity: 503
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 4
RotatableBondCount: 4
Xlogp3: -0.3
CatalogNumber:
AB65592
ChemicalName:
Pteroic acid
CasNumber:
119-24-4
MolecularFormula:
C14H12N6O3
MolecularWeight:
312.2835
MdlNumber:
MFCD27967230
Smiles:
OC(=O)c1ccc(cc1)NCc1cnc2c(n1)c(=O)[nH]c(n2)N
NscNumber:
14972
Complexity:
503
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
4
RotatableBondCount:
4
Xlogp3:
-0.3
CatalogNumber: AB65593
ChemicalName: 4-(2,4-Dichlorophenylsulfonyl)morpholine
CasNumber: 74832-72-7
MolecularFormula: C10H11Cl2NO3S
MolecularWeight: 296.1702
MdlNumber: MFCD01116430
Smiles: Clc1ccc(c(c1)Cl)S(=O)(=O)N1CCOCC1
NscNumber: __
Complexity: 351
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 2
CatalogNumber:
AB65593
ChemicalName:
4-(2,4-Dichlorophenylsulfonyl)morpholine
CasNumber:
74832-72-7
MolecularFormula:
C10H11Cl2NO3S
MolecularWeight:
296.1702
MdlNumber:
MFCD01116430
Smiles:
Clc1ccc(c(c1)Cl)S(=O)(=O)N1CCOCC1
NscNumber:
__
Complexity:
351
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
2
CatalogNumber: AB65594
ChemicalName: 4-(2-Chloropyridin-3-ylsulfonyl)morpholine
CasNumber: 60597-72-0
MolecularFormula: C9H11ClN2O3S
MolecularWeight: 262.7132
MdlNumber: MFCD09475837
Smiles: Clc1ncccc1S(=O)(=O)N1CCOCC1
NscNumber: __
Complexity: 324
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 0.6
CatalogNumber:
AB65594
ChemicalName:
4-(2-Chloropyridin-3-ylsulfonyl)morpholine
CasNumber:
60597-72-0
MolecularFormula:
C9H11ClN2O3S
MolecularWeight:
262.7132
MdlNumber:
MFCD09475837
Smiles:
Clc1ncccc1S(=O)(=O)N1CCOCC1
NscNumber:
__
Complexity:
324
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
0.6