AA29081
1246761-51-2 | 2-(1,3-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl)acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AA29081
ChemicalName
2-(1,3-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl)acetic acid
CasNumber
1246761-51-2
MolecularFormula
C10H10N2O4S
MolecularWeight
254.2624
MdlNumber
MFCD27964244
Smiles
OC(=O)Cc1csc2c1c(=O)n(C)c(=O)n2C
Complexity
387
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.3
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CatalogNumber: AA29081
ChemicalName: 2-(1,3-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl)acetic acid
CasNumber: 1246761-51-2
MolecularFormula: C10H10N2O4S
MolecularWeight: 254.2624
MdlNumber: MFCD27964244
Smiles: OC(=O)Cc1csc2c1c(=O)n(C)c(=O)n2C
Complexity: 387
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.3
CatalogNumber:
AA29081
ChemicalName:
2-(1,3-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl)acetic acid
CasNumber:
1246761-51-2
MolecularFormula:
C10H10N2O4S
MolecularWeight:
254.2624
MdlNumber:
MFCD27964244
Smiles:
OC(=O)Cc1csc2c1c(=O)n(C)c(=O)n2C
Complexity:
387
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.3
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Smiles: NNCC1CCC1.Cl.Cl
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Smiles:
NNCC1CCC1.Cl.Cl
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Smiles: N#CC1(CCC(CC1)(F)F)c1ccccc1
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Smiles:
N#CC1(CCC(CC1)(F)F)c1ccccc1
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RotatableBondCount:
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Smiles: OCC1CCCCN1c1ccccc1
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Xlogp3: __
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ChemicalName:
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Smiles:
OCC1CCCCN1c1ccccc1
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
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