AD63773
179688-53-0 | 3,4-Dihydro-7-methoxy-4-oxoquinazolin-6-yl acetate
Manufacturer: A2B Chem
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CatalogNumber
AD63773
ChemicalName
3,4-Dihydro-7-methoxy-4-oxoquinazolin-6-yl acetate
CasNumber
179688-53-0
MolecularFormula
C11H10N2O4
MolecularWeight
234.2081
MdlNumber
MFCD09833010
Smiles
COc1cc2[nH]cnc(=O)c2cc1OC(=O)C
Complexity
355
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
0.4
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CatalogNumber: AD63773
ChemicalName: 3,4-Dihydro-7-methoxy-4-oxoquinazolin-6-yl acetate
CasNumber: 179688-53-0
MolecularFormula: C11H10N2O4
MolecularWeight: 234.2081
MdlNumber: MFCD09833010
Smiles: COc1cc2[nH]cnc(=O)c2cc1OC(=O)C
Complexity: 355
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 0.4
CatalogNumber:
AD63773
ChemicalName:
3,4-Dihydro-7-methoxy-4-oxoquinazolin-6-yl acetate
CasNumber:
179688-53-0
MolecularFormula:
C11H10N2O4
MolecularWeight:
234.2081
MdlNumber:
MFCD09833010
Smiles:
COc1cc2[nH]cnc(=O)c2cc1OC(=O)C
Complexity:
355
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
0.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOc1c(N)cc(cc1Br)F
Complexity: 147
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOc1c(N)cc(cc1Br)F
Complexity:
147
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.4
CatalogNumber: AD63778
ChemicalName: 5-Bromo-2-chlorobenzylamine
CasNumber: 1096296-85-3
MolecularFormula: C7H7BrClN
MolecularWeight: 220.4942
MdlNumber: MFCD12026286
Smiles: NCc1cc(Br)ccc1Cl
Complexity: 110
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.1
CatalogNumber:
AD63778
ChemicalName:
5-Bromo-2-chlorobenzylamine
CasNumber:
1096296-85-3
MolecularFormula:
C7H7BrClN
MolecularWeight:
220.4942
MdlNumber:
MFCD12026286
Smiles:
NCc1cc(Br)ccc1Cl
Complexity:
110
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.1
CatalogNumber: AD63783
ChemicalName: tert-Butyl (1,1-dimethyl-2-oxoethyl)carbamate
CasNumber: 109608-77-7
MolecularFormula: C9H17NO3
MolecularWeight: 187.2362
MdlNumber: MFCD09751786
Smiles: O=CC(NC(=O)OC(C)(C)C)(C)C
Complexity: 203
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 1
CatalogNumber:
AD63783
ChemicalName:
tert-Butyl (1,1-dimethyl-2-oxoethyl)carbamate
CasNumber:
109608-77-7
MolecularFormula:
C9H17NO3
MolecularWeight:
187.2362
MdlNumber:
MFCD09751786
Smiles:
O=CC(NC(=O)OC(C)(C)C)(C)C
Complexity:
203
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
1