AI38764
169816-40-4 | 3-Chloromethyl-N,N-diethylbenzamide
Manufacturer: A2B Chem
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CatalogNumber
AI38764
ChemicalName
3-Chloromethyl-N,N-diethylbenzamide
CasNumber
169816-40-4
MolecularFormula
C12H16ClNO
MolecularWeight
225.7145
MdlNumber
MFCD11208348
Smiles
CCN(C(=O)c1cccc(c1)CCl)CC
Complexity
204
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
1
RotatableBondCount
4
Xlogp3
2
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CatalogNumber: AI38764
ChemicalName: 3-Chloromethyl-N,N-diethylbenzamide
CasNumber: 169816-40-4
MolecularFormula: C12H16ClNO
MolecularWeight: 225.7145
MdlNumber: MFCD11208348
Smiles: CCN(C(=O)c1cccc(c1)CCl)CC
Complexity: 204
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 1
RotatableBondCount: 4
Xlogp3: 2
CatalogNumber:
AI38764
ChemicalName:
3-Chloromethyl-N,N-diethylbenzamide
CasNumber:
169816-40-4
MolecularFormula:
C12H16ClNO
MolecularWeight:
225.7145
MdlNumber:
MFCD11208348
Smiles:
CCN(C(=O)c1cccc(c1)CCl)CC
Complexity:
204
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
1
RotatableBondCount:
4
Xlogp3:
2
CatalogNumber: AI38765
ChemicalName: Ethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate
CasNumber: 1698653-24-5
MolecularFormula: C9H13N3O2
MolecularWeight: 195.21842000000007
MdlNumber: MFCD28100423
Smiles: CCOC(=O)c1nn2c(c1)NCCC2
Complexity: 222
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 1.2
CatalogNumber:
AI38765
ChemicalName:
Ethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate
CasNumber:
1698653-24-5
MolecularFormula:
C9H13N3O2
MolecularWeight:
195.21842000000007
MdlNumber:
MFCD28100423
Smiles:
CCOC(=O)c1nn2c(c1)NCCC2
Complexity:
222
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
1.2
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Smiles: OC[C@@H]1C[C@H]1F
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Smiles:
OC[C@@H]1C[C@H]1F
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RotatableBondCount:
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Smiles: CSc1nc(SC)ncc1B(O)O
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MolecularFormula:
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Smiles:
CSc1nc(SC)ncc1B(O)O
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
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