AE35998
1352792-74-5 | Verinurad
Manufacturer: A2B Chem
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CatalogNumber
AE35998
ChemicalName
Verinurad
CasNumber
1352792-74-5
MolecularFormula
C20H16N2O2S
MolecularWeight
348.4182
MdlNumber
MFCD28963965
Smiles
N#Cc1ccc(c2c1cccc2)c1cnccc1SC(C(=O)O)(C)C
Complexity
541
Covalently-bondedUnitCount
1
HeavyAtomCount
25
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
4.1
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CatalogNumber: AE35998
ChemicalName: Verinurad
CasNumber: 1352792-74-5
MolecularFormula: C20H16N2O2S
MolecularWeight: 348.4182
MdlNumber: MFCD28963965
Smiles: N#Cc1ccc(c2c1cccc2)c1cnccc1SC(C(=O)O)(C)C
Complexity: 541
Covalently-bondedUnitCount: 1
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 4.1
CatalogNumber:
AE35998
ChemicalName:
Verinurad
CasNumber:
1352792-74-5
MolecularFormula:
C20H16N2O2S
MolecularWeight:
348.4182
MdlNumber:
MFCD28963965
Smiles:
N#Cc1ccc(c2c1cccc2)c1cnccc1SC(C(=O)O)(C)C
Complexity:
541
Covalently-bondedUnitCount:
1
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
4.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1nccc(c1)Nc1nccc(n1)c1cnc(nc1CC1CC1)NCC(O)(C)C
Complexity: 549
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1nccc(c1)Nc1nccc(n1)c1cnc(nc1CC1CC1)NCC(O)(C)C
Complexity:
549
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccc(cc1)c1nn(c2c1c(N)ncn2)C(CNC(=O)c1ccncc1)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccc(cc1)c1nn(c2c1c(N)ncn2)C(CNC(=O)c1ccncc1)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CS(=O)(=O)O.CCN(CC(=O)OC1CCN(CC1)c1ccc(s1)/C=C(/c1ccc(c(c1)OC)OC)C#N)CC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CS(=O)(=O)O.CCN(CC(=O)OC1CCN(CC1)c1ccc(s1)/C=C(/c1ccc(c(c1)OC)OC)C#N)CC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__