AI56267
774225-35-3 | tert-Butyl n-[(4-tert-butylphenyl)(cyano)methyl]carbamate
Manufacturer: A2B Chem
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CatalogNumber
AI56267
ChemicalName
tert-Butyl n-[(4-tert-butylphenyl)(cyano)methyl]carbamate
CasNumber
774225-35-3
MolecularFormula
C17H24N2O2
MolecularWeight
288.3847
MdlNumber
MFCD24476515
Smiles
N#CC(c1ccc(cc1)C(C)(C)C)NC(=O)OC(C)(C)C
Complexity
401
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
5
UndefinedAtomStereocenterCount
1
Xlogp3
4.1
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CatalogNumber: AI56267
ChemicalName: tert-Butyl n-[(4-tert-butylphenyl)(cyano)methyl]carbamate
CasNumber: 774225-35-3
MolecularFormula: C17H24N2O2
MolecularWeight: 288.3847
MdlNumber: MFCD24476515
Smiles: N#CC(c1ccc(cc1)C(C)(C)C)NC(=O)OC(C)(C)C
Complexity: 401
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
Xlogp3: 4.1
CatalogNumber:
AI56267
ChemicalName:
tert-Butyl n-[(4-tert-butylphenyl)(cyano)methyl]carbamate
CasNumber:
774225-35-3
MolecularFormula:
C17H24N2O2
MolecularWeight:
288.3847
MdlNumber:
MFCD24476515
Smiles:
N#CC(c1ccc(cc1)C(C)(C)C)NC(=O)OC(C)(C)C
Complexity:
401
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
Xlogp3:
4.1
CatalogNumber: AI56268
ChemicalName: 5-Chlorothiazole-2-ethanone
CasNumber: 774230-95-4
MolecularFormula: C5H4ClNOS
MolecularWeight: 161.60936000000004
MdlNumber: MFCD09842149
Smiles: Clc1cnc(s1)CC=O
Complexity: 130
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: 1.9
CatalogNumber:
AI56268
ChemicalName:
5-Chlorothiazole-2-ethanone
CasNumber:
774230-95-4
MolecularFormula:
C5H4ClNOS
MolecularWeight:
161.60936000000004
MdlNumber:
MFCD09842149
Smiles:
Clc1cnc(s1)CC=O
Complexity:
130
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)c1ncc(s1)Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)c1ncc(s1)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AI56270
ChemicalName: 4-(5H,6H,7H,8H-Imidazo[1,2-a]pyridin-2-yl)aniline
CasNumber: 774238-52-7
MolecularFormula: C13H15N3
MolecularWeight: 213.2783
MdlNumber: MFCD11858227
Smiles: Nc1ccc(cc1)c1nc2n(c1)CCCC2
Complexity: 235
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: 1.7
CatalogNumber:
AI56270
ChemicalName:
4-(5H,6H,7H,8H-Imidazo[1,2-a]pyridin-2-yl)aniline
CasNumber:
774238-52-7
MolecularFormula:
C13H15N3
MolecularWeight:
213.2783
MdlNumber:
MFCD11858227
Smiles:
Nc1ccc(cc1)c1nc2n(c1)CCCC2
Complexity:
235
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.7