AD70153
154127-42-1 | (S)-4-Hydroxy-2-(3-methoxypropyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide
Manufacturer: A2B Chem
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CatalogNumber
AD70153
ChemicalName
(S)-4-Hydroxy-2-(3-methoxypropyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide
CasNumber
154127-42-1
MolecularFormula
C10H16N2O6S3
MolecularWeight
356.4388
MdlNumber
MFCD09033313
Smiles
COCCCN1C[C@@H](O)c2c(S1(=O)=O)sc(c2)S(=O)(=O)N
Complexity
567
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
9
HydrogenBondDonorCount
2
RotatableBondCount
5
Xlogp3
-0.9
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CatalogNumber: AD70153
ChemicalName: (S)-4-Hydroxy-2-(3-methoxypropyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide
CasNumber: 154127-42-1
MolecularFormula: C10H16N2O6S3
MolecularWeight: 356.4388
MdlNumber: MFCD09033313
Smiles: COCCCN1C[C@@H](O)c2c(S1(=O)=O)sc(c2)S(=O)(=O)N
Complexity: 567
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 9
HydrogenBondDonorCount: 2
RotatableBondCount: 5
Xlogp3: -0.9
CatalogNumber:
AD70153
ChemicalName:
(S)-4-Hydroxy-2-(3-methoxypropyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide
CasNumber:
154127-42-1
MolecularFormula:
C10H16N2O6S3
MolecularWeight:
356.4388
MdlNumber:
MFCD09033313
Smiles:
COCCCN1C[C@@H](O)c2c(S1(=O)=O)sc(c2)S(=O)(=O)N
Complexity:
567
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
9
HydrogenBondDonorCount:
2
RotatableBondCount:
5
Xlogp3:
-0.9
CatalogNumber: AD70154
ChemicalName: 2-(3-Methoxypropyl)-4-oxo-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide
CasNumber: 154127-41-0
MolecularFormula: C10H14N2O6S3
MolecularWeight: 354.423
MdlNumber: MFCD22572589
Smiles: COCCCN1CC(=O)c2c(S1(=O)=O)sc(c2)S(=O)(=O)N
Complexity: 606
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 9
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: -0.2
CatalogNumber:
AD70154
ChemicalName:
2-(3-Methoxypropyl)-4-oxo-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide
CasNumber:
154127-41-0
MolecularFormula:
C10H14N2O6S3
MolecularWeight:
354.423
MdlNumber:
MFCD22572589
Smiles:
COCCCN1CC(=O)c2c(S1(=O)=O)sc(c2)S(=O)(=O)N
Complexity:
606
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
9
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
-0.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccccc1c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccccc1c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N/C(=N)/c1ccc(cc1)/C(=N)/N
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N/C(=N)/c1ccc(cc1)/C(=N)/N
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__