AB47676
185104-11-4 | Acotiamide hydrochloride
Manufacturer: A2B Chem
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CatalogNumber
AB47676
ChemicalName
Acotiamide hydrochloride
CasNumber
185104-11-4
MolecularFormula
C21H31ClN4O5S
MolecularWeight
487.0126
MdlNumber
MFCD23103502
Smiles
COc1cc(O)c(cc1OC)C(=O)Nc1scc(n1)C(=O)NCCN(C(C)C)C(C)C.Cl
Complexity
586
Covalently-bondedUnitCount
2
HeavyAtomCount
32
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
4
RotatableBondCount
10
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CatalogNumber: AB47676
ChemicalName: Acotiamide hydrochloride
CasNumber: 185104-11-4
MolecularFormula: C21H31ClN4O5S
MolecularWeight: 487.0126
MdlNumber: MFCD23103502
Smiles: COc1cc(O)c(cc1OC)C(=O)Nc1scc(n1)C(=O)NCCN(C(C)C)C(C)C.Cl
Complexity: 586
Covalently-bondedUnitCount: 2
HeavyAtomCount: 32
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 4
RotatableBondCount: 10
CatalogNumber:
AB47676
ChemicalName:
Acotiamide hydrochloride
CasNumber:
185104-11-4
MolecularFormula:
C21H31ClN4O5S
MolecularWeight:
487.0126
MdlNumber:
MFCD23103502
Smiles:
COc1cc(O)c(cc1OC)C(=O)Nc1scc(n1)C(=O)NCCN(C(C)C)C(C)C.Cl
Complexity:
586
Covalently-bondedUnitCount:
2
HeavyAtomCount:
32
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
4
RotatableBondCount:
10
CatalogNumber: AB47677
ChemicalName: 2-Chloro-5-nitro-3-(trifluoromethyl)pyridine
CasNumber: 99368-67-9
MolecularFormula: C6H2ClF3N2O2
MolecularWeight: 226.5405
MdlNumber: MFCD00792435
Smiles: [O-][N+](=O)c1cnc(c(c1)C(F)(F)F)Cl
Complexity: 230
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
AB47677
ChemicalName:
2-Chloro-5-nitro-3-(trifluoromethyl)pyridine
CasNumber:
99368-67-9
MolecularFormula:
C6H2ClF3N2O2
MolecularWeight:
226.5405
MdlNumber:
MFCD00792435
Smiles:
[O-][N+](=O)c1cnc(c(c1)C(F)(F)F)Cl
Complexity:
230
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AB47678
ChemicalName: 2-Bromo-5-methoxypyrimidine
CasNumber: 1209459-99-3
MolecularFormula: C5H5BrN2O
MolecularWeight: 189.01
MdlNumber: MFCD12025462
Smiles: COc1cnc(nc1)Br
Complexity: 83
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 1
CatalogNumber:
AB47678
ChemicalName:
2-Bromo-5-methoxypyrimidine
CasNumber:
1209459-99-3
MolecularFormula:
C5H5BrN2O
MolecularWeight:
189.01
MdlNumber:
MFCD12025462
Smiles:
COc1cnc(nc1)Br
Complexity:
83
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1cccc(c1OCC(F)(F)F)OCC(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1cccc(c1OCC(F)(F)F)OCC(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__