AA63822
145783-14-8 | 4,6-Dichloro-5-nitro-2-(propylthio)pyrimidine
Manufacturer: A2B Chem
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CatalogNumber
AA63822
ChemicalName
4,6-Dichloro-5-nitro-2-(propylthio)pyrimidine
CasNumber
145783-14-8
MolecularFormula
C7H7Cl2N3O2S
MolecularWeight
268.1204
MdlNumber
MFCD10698669
Smiles
CCCSc1nc(Cl)c(c(n1)Cl)[N+](=O)[O-]
Complexity
217
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
RotatableBondCount
3
Xlogp3
3.7
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CatalogNumber: AA63822
ChemicalName: 4,6-Dichloro-5-nitro-2-(propylthio)pyrimidine
CasNumber: 145783-14-8
MolecularFormula: C7H7Cl2N3O2S
MolecularWeight: 268.1204
MdlNumber: MFCD10698669
Smiles: CCCSc1nc(Cl)c(c(n1)Cl)[N+](=O)[O-]
Complexity: 217
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
RotatableBondCount: 3
Xlogp3: 3.7
CatalogNumber:
AA63822
ChemicalName:
4,6-Dichloro-5-nitro-2-(propylthio)pyrimidine
CasNumber:
145783-14-8
MolecularFormula:
C7H7Cl2N3O2S
MolecularWeight:
268.1204
MdlNumber:
MFCD10698669
Smiles:
CCCSc1nc(Cl)c(c(n1)Cl)[N+](=O)[O-]
Complexity:
217
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
RotatableBondCount:
3
Xlogp3:
3.7
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Smiles: [O-][N+](=O)c1c(O)nc([nH]c1=O)SCCC
Complexity: __
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HeavyAtomCount: __
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Smiles:
[O-][N+](=O)c1c(O)nc([nH]c1=O)SCCC
Complexity:
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HydrogenBondAcceptorCount:
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Smiles: CCCSc1nc(O)cc(=O)[nH]1
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Smiles:
CCCSc1nc(O)cc(=O)[nH]1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
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Smiles: CC(=O)O.OC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NNC(=O)N)CCCNC(=N)N)CC(C)C)COC(C)(C)C)Cc1ccc(cc1)O)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H]1CCC(=O)N1)Cc1nc[nH]c1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)O.OC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NNC(=O)N)CCCNC(=N)N)CC(C)C)COC(C)(C)C)Cc1ccc(cc1)O)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H]1CCC(=O)N1)Cc1nc[nH]c1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__