AE35958
1338545-07-5 | OTS-964
Manufacturer: A2B Chem
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CatalogNumber
AE35958
ChemicalName
OTS-964
CasNumber
1338545-07-5
MolecularFormula
C23H25ClN2O2S
MolecularWeight
428.9748
MdlNumber
MFCD28386220
Smiles
CN(C[C@@H](c1ccc(cc1)c1c(O)cc(c2c1c1ccsc1c(=O)[nH]2)C)C)C.Cl
Complexity
563
Covalently-bondedUnitCount
2
DefinedAtomStereocenterCount
1
HeavyAtomCount
29
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
3
RotatableBondCount
4
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CatalogNumber: AE35958
ChemicalName: OTS-964
CasNumber: 1338545-07-5
MolecularFormula: C23H25ClN2O2S
MolecularWeight: 428.9748
MdlNumber: MFCD28386220
Smiles: CN(C[C@@H](c1ccc(cc1)c1c(O)cc(c2c1c1ccsc1c(=O)[nH]2)C)C)C.Cl
Complexity: 563
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 29
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 4
CatalogNumber:
AE35958
ChemicalName:
OTS-964
CasNumber:
1338545-07-5
MolecularFormula:
C23H25ClN2O2S
MolecularWeight:
428.9748
MdlNumber:
MFCD28386220
Smiles:
CN(C[C@@H](c1ccc(cc1)c1c(O)cc(c2c1c1ccsc1c(=O)[nH]2)C)C)C.Cl
Complexity:
563
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
29
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
4
CatalogNumber: __
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Smiles: CC(C[C@H](C(=O)OC(C)(C)C)Br)C
Complexity: __
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Smiles:
CC(C[C@H](C(=O)OC(C)(C)C)Br)C
Complexity:
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DefinedAtomStereocenterCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: N#Cc1c(sc(c1c1ccc(cc1F)C#N)c1nnc[nH]1)N1CCOCC1
Complexity: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
N#Cc1c(sc(c1c1ccc(cc1F)C#N)c1nnc[nH]1)N1CCOCC1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
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CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N=c1[nH]cc(c(c1)C(F)(F)F)c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N=c1[nH]cc(c(c1)C(F)(F)F)c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__