AF72709
329689-23-8 | DL-Monastrol
Manufacturer: A2B Chem
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CatalogNumber
AF72709
ChemicalName
DL-Monastrol
CasNumber
329689-23-8
MolecularFormula
C14H16N2O3S
MolecularWeight
292.3534
MdlNumber
MFCD11978057
Smiles
CCOC(=O)C1=C(C)NC(=S)NC1c1cccc(c1)O
NscNumber
716782
Complexity
436
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
3
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
1.6
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CatalogNumber: AF72709
ChemicalName: DL-Monastrol
CasNumber: 329689-23-8
MolecularFormula: C14H16N2O3S
MolecularWeight: 292.3534
MdlNumber: MFCD11978057
Smiles: CCOC(=O)C1=C(C)NC(=S)NC1c1cccc(c1)O
NscNumber: 716782
Complexity: 436
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.6
CatalogNumber:
AF72709
ChemicalName:
DL-Monastrol
CasNumber:
329689-23-8
MolecularFormula:
C14H16N2O3S
MolecularWeight:
292.3534
MdlNumber:
MFCD11978057
Smiles:
CCOC(=O)C1=C(C)NC(=S)NC1c1cccc(c1)O
NscNumber:
716782
Complexity:
436
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N[C@@H]1CCCC[C@H]1N.[Cl-].[Cl-].[Pt+2]
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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MolecularFormula:
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MolecularWeight:
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Smiles:
N[C@@H]1CCCC[C@H]1N.[Cl-].[Cl-].[Pt+2]
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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CasNumber: __
MolecularFormula: __
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MdlNumber: __
Smiles: CCCCCCCC=CCC#CC#CC(C=C)O
NscNumber: __
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CCCCCCCC=CCC#CC#CC(C=C)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC(C(c1ccccc1)N)c1ccccc1.Cc1cc(C)cc(c1)P(c1cc2CCc3ccc(CCc1cc2)cc3P(c1cc(C)cc(c1)C)c1cc(C)cc(c1)C)c1cc(C)cc(c1)C.Cl[Ru]Cl
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(C(c1ccccc1)N)c1ccccc1.Cc1cc(C)cc(c1)P(c1cc2CCc3ccc(CCc1cc2)cc3P(c1cc(C)cc(c1)C)c1cc(C)cc(c1)C)c1cc(C)cc(c1)C.Cl[Ru]Cl
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__