AI40184
1820603-85-7 | 2-(Ethanesulfonyl)-N,N-dimethyl-5-nitroaniline
Manufacturer: A2B Chem
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CatalogNumber
AI40184
ChemicalName
2-(Ethanesulfonyl)-N,N-dimethyl-5-nitroaniline
CasNumber
1820603-85-7
MolecularFormula
C10H14N2O4S
MolecularWeight
258.2942
MdlNumber
MFCD25953891
Smiles
CCS(=O)(=O)c1ccc(cc1N(C)C)[N+](=O)[O-]
Complexity
369
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
5
RotatableBondCount
3
Xlogp3
1.5
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CatalogNumber: AI40184
ChemicalName: 2-(Ethanesulfonyl)-N,N-dimethyl-5-nitroaniline
CasNumber: 1820603-85-7
MolecularFormula: C10H14N2O4S
MolecularWeight: 258.2942
MdlNumber: MFCD25953891
Smiles: CCS(=O)(=O)c1ccc(cc1N(C)C)[N+](=O)[O-]
Complexity: 369
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
RotatableBondCount: 3
Xlogp3: 1.5
CatalogNumber:
AI40184
ChemicalName:
2-(Ethanesulfonyl)-N,N-dimethyl-5-nitroaniline
CasNumber:
1820603-85-7
MolecularFormula:
C10H14N2O4S
MolecularWeight:
258.2942
MdlNumber:
MFCD25953891
Smiles:
CCS(=O)(=O)c1ccc(cc1N(C)C)[N+](=O)[O-]
Complexity:
369
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
RotatableBondCount:
3
Xlogp3:
1.5
CatalogNumber: AI40185
ChemicalName: 2,4-Bis(Benzyloxy)-1-methanesulfonylbenzene
CasNumber: 1820603-90-4
MolecularFormula: C21H20O4S
MolecularWeight: 368.4461
MdlNumber: MFCD26131156
Smiles: CS(=O)(=O)c1ccc(cc1OCc1ccccc1)OCc1ccccc1
Complexity: 501
Covalently-bondedUnitCount: 1
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 4
RotatableBondCount: 7
Xlogp3: 4.1
CatalogNumber:
AI40185
ChemicalName:
2,4-Bis(Benzyloxy)-1-methanesulfonylbenzene
CasNumber:
1820603-90-4
MolecularFormula:
C21H20O4S
MolecularWeight:
368.4461
MdlNumber:
MFCD26131156
Smiles:
CS(=O)(=O)c1ccc(cc1OCc1ccccc1)OCc1ccccc1
Complexity:
501
Covalently-bondedUnitCount:
1
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
4
RotatableBondCount:
7
Xlogp3:
4.1
CatalogNumber: AI40186
ChemicalName: 2-(4-BOC-Piperazino)methyl-4-bromothiophene
CasNumber: 1820603-98-2
MolecularFormula: C14H21BrN2O2S
MolecularWeight: 361.2977
MdlNumber: MFCD28369582
Smiles: O=C(N1CCN(CC1)Cc1scc(c1)Br)OC(C)(C)C
Complexity: 341
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
Xlogp3: 2.8
CatalogNumber:
AI40186
ChemicalName:
2-(4-BOC-Piperazino)methyl-4-bromothiophene
CasNumber:
1820603-98-2
MolecularFormula:
C14H21BrN2O2S
MolecularWeight:
361.2977
MdlNumber:
MFCD28369582
Smiles:
O=C(N1CCN(CC1)Cc1scc(c1)Br)OC(C)(C)C
Complexity:
341
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
Xlogp3:
2.8
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Smiles: O=C(OC(C)(C)C)Nc1ccc(cc1)OC1CCNCC1
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Smiles:
O=C(OC(C)(C)C)Nc1ccc(cc1)OC1CCNCC1
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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