AI39363
1782770-94-8 | 2-[2-(BOC-Amino)-1,3,4-thiadiazol-5-yl]acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AI39363
ChemicalName
2-[2-(BOC-Amino)-1,3,4-thiadiazol-5-yl]acetic acid
CasNumber
1782770-94-8
MolecularFormula
C9H13N3O4S
MolecularWeight
259.2822
MdlNumber
MFCD26940381
Smiles
O=C(Nc1nnc(s1)CC(=O)O)OC(C)(C)C
Complexity
305
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
2
RotatableBondCount
5
Xlogp3
0.8
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CatalogNumber: AI39363
ChemicalName: 2-[2-(BOC-Amino)-1,3,4-thiadiazol-5-yl]acetic acid
CasNumber: 1782770-94-8
MolecularFormula: C9H13N3O4S
MolecularWeight: 259.2822
MdlNumber: MFCD26940381
Smiles: O=C(Nc1nnc(s1)CC(=O)O)OC(C)(C)C
Complexity: 305
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 5
Xlogp3: 0.8
CatalogNumber:
AI39363
ChemicalName:
2-[2-(BOC-Amino)-1,3,4-thiadiazol-5-yl]acetic acid
CasNumber:
1782770-94-8
MolecularFormula:
C9H13N3O4S
MolecularWeight:
259.2822
MdlNumber:
MFCD26940381
Smiles:
O=C(Nc1nnc(s1)CC(=O)O)OC(C)(C)C
Complexity:
305
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
5
Xlogp3:
0.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1cnn(c1Cl)Cc1ccccc1
Complexity: 185
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1cnn(c1Cl)Cc1ccccc1
Complexity:
185
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)COc1c(F)cccc1Br
Complexity: 188
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)COc1c(F)cccc1Br
Complexity:
188
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1ccc2c(c1F)NCC2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1ccc2c(c1F)NCC2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__