AI40535
1820664-83-2 | Benzyl N-[5-bromo-2-(methylsulfanyl)pyrimidin-4-yl]carbamate
Manufacturer: A2B Chem
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CatalogNumber
AI40535
ChemicalName
Benzyl N-[5-bromo-2-(methylsulfanyl)pyrimidin-4-yl]carbamate
CasNumber
1820664-83-2
MolecularFormula
C13H12BrN3O2S
MolecularWeight
354.2223
MdlNumber
MFCD28397255
Smiles
CSc1ncc(c(n1)NC(=O)OCc1ccccc1)Br
Complexity
316
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
3.1
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CatalogNumber: AI40535
ChemicalName: Benzyl N-[5-bromo-2-(methylsulfanyl)pyrimidin-4-yl]carbamate
CasNumber: 1820664-83-2
MolecularFormula: C13H12BrN3O2S
MolecularWeight: 354.2223
MdlNumber: MFCD28397255
Smiles: CSc1ncc(c(n1)NC(=O)OCc1ccccc1)Br
Complexity: 316
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 3.1
CatalogNumber:
AI40535
ChemicalName:
Benzyl N-[5-bromo-2-(methylsulfanyl)pyrimidin-4-yl]carbamate
CasNumber:
1820664-83-2
MolecularFormula:
C13H12BrN3O2S
MolecularWeight:
354.2223
MdlNumber:
MFCD28397255
Smiles:
CSc1ncc(c(n1)NC(=O)OCc1ccccc1)Br
Complexity:
316
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1nc(Cl)c(cc1Cl)Br
Complexity: 205
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1nc(Cl)c(cc1Cl)Br
Complexity:
205
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.3
CatalogNumber: AI40538
ChemicalName: 3-(2-Methylpropane-2-sulfonyl)azetidine hydrochloride
CasNumber: 1820664-96-7
MolecularFormula: C7H16ClNO2S
MolecularWeight: 213.7254
MdlNumber: MFCD28369554
Smiles: CC(S(=O)(=O)C1CNC1)(C)C.Cl
Complexity: 228
Covalently-bondedUnitCount: 2
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: __
CatalogNumber:
AI40538
ChemicalName:
3-(2-Methylpropane-2-sulfonyl)azetidine hydrochloride
CasNumber:
1820664-96-7
MolecularFormula:
C7H16ClNO2S
MolecularWeight:
213.7254
MdlNumber:
MFCD28369554
Smiles:
CC(S(=O)(=O)C1CNC1)(C)C.Cl
Complexity:
228
Covalently-bondedUnitCount:
2
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)C(c1ccnc(c1)Br)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)C(c1ccnc(c1)Br)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__