AB52290
1377049-84-7 | Velpatasvir
Manufacturer: A2B Chem
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CatalogNumber
AB52290
ChemicalName
Velpatasvir
CasNumber
1377049-84-7
MolecularFormula
C49H54N8O8
MolecularWeight
883.0018600000008
MdlNumber
MFCD28411371
Smiles
COC[C@H]1C[C@H](N(C1)C(=O)[C@@H](c1ccccc1)NC(=O)OC)c1ncc([nH]1)c1ccc2-c3cc4ccc5c(c4cc3OCc2c1)[nH]c(n5)[C@@H]1CC[C@@H](N1C(=O)[C@H](C(C)C)NC(=O)OC)C
Complexity
1690
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
6
HeavyAtomCount
65
HydrogenBondAcceptorCount
10
HydrogenBondDonorCount
4
RotatableBondCount
13
Xlogp3
6.2
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CatalogNumber: AB52290
ChemicalName: Velpatasvir
CasNumber: 1377049-84-7
MolecularFormula: C49H54N8O8
MolecularWeight: 883.0018600000008
MdlNumber: MFCD28411371
Smiles: COC[C@H]1C[C@H](N(C1)C(=O)[C@@H](c1ccccc1)NC(=O)OC)c1ncc([nH]1)c1ccc2-c3cc4ccc5c(c4cc3OCc2c1)[nH]c(n5)[C@@H]1CC[C@@H](N1C(=O)[C@H](C(C)C)NC(=O)OC)C
Complexity: 1690
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 6
HeavyAtomCount: 65
HydrogenBondAcceptorCount: 10
HydrogenBondDonorCount: 4
RotatableBondCount: 13
Xlogp3: 6.2
CatalogNumber:
AB52290
ChemicalName:
Velpatasvir
CasNumber:
1377049-84-7
MolecularFormula:
C49H54N8O8
MolecularWeight:
883.0018600000008
MdlNumber:
MFCD28411371
Smiles:
COC[C@H]1C[C@H](N(C1)C(=O)[C@@H](c1ccccc1)NC(=O)OC)c1ncc([nH]1)c1ccc2-c3cc4ccc5c(c4cc3OCc2c1)[nH]c(n5)[C@@H]1CC[C@@H](N1C(=O)[C@H](C(C)C)NC(=O)OC)C
Complexity:
1690
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
6
HeavyAtomCount:
65
HydrogenBondAcceptorCount:
10
HydrogenBondDonorCount:
4
RotatableBondCount:
13
Xlogp3:
6.2
CatalogNumber: AB52291
ChemicalName: 6-Bromo-1-hydroxynaphthalene
CasNumber: 91270-68-7
MolecularFormula: C10H7BrO
MolecularWeight: 223.066
MdlNumber: MFCD15528811
Smiles: Brc1ccc2c(c1)cccc2O
Complexity: 160
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 4.4
CatalogNumber:
AB52291
ChemicalName:
6-Bromo-1-hydroxynaphthalene
CasNumber:
91270-68-7
MolecularFormula:
C10H7BrO
MolecularWeight:
223.066
MdlNumber:
MFCD15528811
Smiles:
Brc1ccc2c(c1)cccc2O
Complexity:
160
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
4.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCC[Sn](c1nccn1C)(CCCC)CCCC
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCC[Sn](c1nccn1C)(CCCC)CCCC
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB52293
ChemicalName: 1-Pyridin-2-yl-propan-2-one
CasNumber: 6302-02-9
MolecularFormula: C8H9NO
MolecularWeight: 135.16316000000003
MdlNumber: MFCD00092717
Smiles: CC(=O)Cc1ccccn1
Complexity: 122
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 0.6
CatalogNumber:
AB52293
ChemicalName:
1-Pyridin-2-yl-propan-2-one
CasNumber:
6302-02-9
MolecularFormula:
C8H9NO
MolecularWeight:
135.16316000000003
MdlNumber:
MFCD00092717
Smiles:
CC(=O)Cc1ccccn1
Complexity:
122
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
0.6