AD72505
135481-57-1 | 6-Benzyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4(1h,3h)-dione
Manufacturer: A2B Chem
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CatalogNumber
AD72505
ChemicalName
6-Benzyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4(1h,3h)-dione
CasNumber
135481-57-1
MolecularFormula
C14H15N3O2
MolecularWeight
257.2878
MdlNumber
MFCD06657750
Smiles
O=c1[nH]c(=O)[nH]c2c1CN(CC2)Cc1ccccc1
NscNumber
525977
Complexity
424
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
0.4
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CatalogNumber: AD72505
ChemicalName: 6-Benzyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4(1h,3h)-dione
CasNumber: 135481-57-1
MolecularFormula: C14H15N3O2
MolecularWeight: 257.2878
MdlNumber: MFCD06657750
Smiles: O=c1[nH]c(=O)[nH]c2c1CN(CC2)Cc1ccccc1
NscNumber: 525977
Complexity: 424
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 0.4
CatalogNumber:
AD72505
ChemicalName:
6-Benzyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4(1h,3h)-dione
CasNumber:
135481-57-1
MolecularFormula:
C14H15N3O2
MolecularWeight:
257.2878
MdlNumber:
MFCD06657750
Smiles:
O=c1[nH]c(=O)[nH]c2c1CN(CC2)Cc1ccccc1
NscNumber:
525977
Complexity:
424
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
0.4
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Smiles: Nc1c2CCCCc2nc2c1c(C)c(o2)C
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Nc1c2CCCCc2nc2c1c(C)c(o2)C
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Smiles: O=C(CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2)NCCCCCCCCCCCC(=O)O
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O=C(CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2)NCCCCCCCCCCCC(=O)O
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Smiles: CC(=C)[C@H]1CCC(=C)[C@@H](C1)O
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Smiles:
CC(=C)[C@H]1CCC(=C)[C@@H](C1)O
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Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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