AI12628
1198785-11-3 | (6-Ethylsulfanyl-pyridin-3-yl)-carbamic acid tert-butyl ester
Manufacturer: A2B Chem
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CatalogNumber
AI12628
ChemicalName
(6-Ethylsulfanyl-pyridin-3-yl)-carbamic acid tert-butyl ester
CasNumber
1198785-11-3
MolecularFormula
C12H18N2O2S
MolecularWeight
254.3485
MdlNumber
MFCD28359745
Smiles
CCSc1ccc(cn1)NC(=O)OC(C)(C)C
Complexity
253
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
2.6
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CatalogNumber: AI12628
ChemicalName: (6-Ethylsulfanyl-pyridin-3-yl)-carbamic acid tert-butyl ester
CasNumber: 1198785-11-3
MolecularFormula: C12H18N2O2S
MolecularWeight: 254.3485
MdlNumber: MFCD28359745
Smiles: CCSc1ccc(cn1)NC(=O)OC(C)(C)C
Complexity: 253
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 2.6
CatalogNumber:
AI12628
ChemicalName:
(6-Ethylsulfanyl-pyridin-3-yl)-carbamic acid tert-butyl ester
CasNumber:
1198785-11-3
MolecularFormula:
C12H18N2O2S
MolecularWeight:
254.3485
MdlNumber:
MFCD28359745
Smiles:
CCSc1ccc(cn1)NC(=O)OC(C)(C)C
Complexity:
253
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
2.6
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Smiles: [N-]=[N+]=NCCCC[C@H](C(=O)O)NC(=O)OCC1c2ccccc2-c2c1cccc2
Complexity: __
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Smiles:
[N-]=[N+]=NCCCC[C@H](C(=O)O)NC(=O)OCC1c2ccccc2-c2c1cccc2
Complexity:
__
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RotatableBondCount:
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Smiles: C1=CC=C2C(=C1)N=C(O2)C=NO
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Smiles:
C1=CC=C2C(=C1)N=C(O2)C=NO
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: COc1ccc(cc1Oc1cnc(cn1)C(=O)O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
COc1ccc(cc1Oc1cnc(cn1)C(=O)O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__