AI41553
1845706-43-5 | Ethyl 1-cyclohexyl-2-methyl-1,3-benzodiazole-5-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI41553
ChemicalName
Ethyl 1-cyclohexyl-2-methyl-1,3-benzodiazole-5-carboxylate
CasNumber
1845706-43-5
MolecularFormula
C17H22N2O2
MolecularWeight
286.3688
MdlNumber
MFCD28962786
Smiles
CCOC(=O)c1ccc2c(c1)nc(n2C1CCCCC1)C
Complexity
368
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
3
RotatableBondCount
4
Xlogp3
3.8
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CatalogNumber: AI41553
ChemicalName: Ethyl 1-cyclohexyl-2-methyl-1,3-benzodiazole-5-carboxylate
CasNumber: 1845706-43-5
MolecularFormula: C17H22N2O2
MolecularWeight: 286.3688
MdlNumber: MFCD28962786
Smiles: CCOC(=O)c1ccc2c(c1)nc(n2C1CCCCC1)C
Complexity: 368
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
Xlogp3: 3.8
CatalogNumber:
AI41553
ChemicalName:
Ethyl 1-cyclohexyl-2-methyl-1,3-benzodiazole-5-carboxylate
CasNumber:
1845706-43-5
MolecularFormula:
C17H22N2O2
MolecularWeight:
286.3688
MdlNumber:
MFCD28962786
Smiles:
CCOC(=O)c1ccc2c(c1)nc(n2C1CCCCC1)C
Complexity:
368
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
Xlogp3:
3.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)Cc1nccnc1Cl.[Na+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)Cc1nccnc1Cl.[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI41555
ChemicalName: 8-(3,5-Dibromophenyl)-1,4-dioxa-8-azaspiro[4.5]decane
CasNumber: 1845713-73-6
MolecularFormula: C13H15Br2NO2
MolecularWeight: 377.0717
MdlNumber: MFCD28962756
Smiles: Brc1cc(cc(c1)Br)N1CCC2(CC1)OCCO2
Complexity: 277
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 3.4
CatalogNumber:
AI41555
ChemicalName:
8-(3,5-Dibromophenyl)-1,4-dioxa-8-azaspiro[4.5]decane
CasNumber:
1845713-73-6
MolecularFormula:
C13H15Br2NO2
MolecularWeight:
377.0717
MdlNumber:
MFCD28962756
Smiles:
Brc1cc(cc(c1)Br)N1CCC2(CC1)OCCO2
Complexity:
277
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
3.4
CatalogNumber: AI41556
ChemicalName: 2-Bromo-3,4-dichloro-6-methylaniline
CasNumber: 1845713-75-8
MolecularFormula: C7H6BrCl2N
MolecularWeight: 254.93923999999998
MdlNumber: MFCD28962762
Smiles: Cc1cc(Cl)c(c(c1N)Br)Cl
Complexity: 144
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 1
RotatableBondCount: __
Xlogp3: 3.6
CatalogNumber:
AI41556
ChemicalName:
2-Bromo-3,4-dichloro-6-methylaniline
CasNumber:
1845713-75-8
MolecularFormula:
C7H6BrCl2N
MolecularWeight:
254.93923999999998
MdlNumber:
MFCD28962762
Smiles:
Cc1cc(Cl)c(c(c1N)Br)Cl
Complexity:
144
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
1
RotatableBondCount:
__
Xlogp3:
3.6