AI57867
864738-25-0 | tert-Butyl N-(1,3-benzothiazol-2-ylmethyl)carbamate
Manufacturer: A2B Chem
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CatalogNumber
AI57867
ChemicalName
tert-Butyl N-(1,3-benzothiazol-2-ylmethyl)carbamate
CasNumber
864738-25-0
MolecularFormula
C13H16N2O2S
MolecularWeight
264.3433
MdlNumber
MFCD21105873
Smiles
O=C(OC(C)(C)C)NCc1nc2c(s1)cccc2
Complexity
304
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
2.9
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CatalogNumber: AI57867
ChemicalName: tert-Butyl N-(1,3-benzothiazol-2-ylmethyl)carbamate
CasNumber: 864738-25-0
MolecularFormula: C13H16N2O2S
MolecularWeight: 264.3433
MdlNumber: MFCD21105873
Smiles: O=C(OC(C)(C)C)NCc1nc2c(s1)cccc2
Complexity: 304
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.9
CatalogNumber:
AI57867
ChemicalName:
tert-Butyl N-(1,3-benzothiazol-2-ylmethyl)carbamate
CasNumber:
864738-25-0
MolecularFormula:
C13H16N2O2S
MolecularWeight:
264.3433
MdlNumber:
MFCD21105873
Smiles:
O=C(OC(C)(C)C)NCc1nc2c(s1)cccc2
Complexity:
304
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.9
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Smiles: Brc1cccc2c1cncc2O
Complexity: __
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HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
Brc1cccc2c1cncc2O
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RotatableBondCount:
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Smiles: COc1noc2c1cc(I)cc2C
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MolecularWeight:
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Smiles:
COc1noc2c1cc(I)cc2C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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Smiles: COC(=O)c1nn2c(c1C(=O)OC)CCC2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
COC(=O)c1nn2c(c1C(=O)OC)CCC2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__