AA73277
145231-45-4 | 3-(1H-Imidazol-5-yl)propyl 4-chlorobenzylcarbamimidothioate
Manufacturer: A2B Chem
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CatalogNumber
AA73277
ChemicalName
3-(1H-Imidazol-5-yl)propyl 4-chlorobenzylcarbamimidothioate
CasNumber
145231-45-4
MolecularFormula
C14H17ClN4S
MolecularWeight
308.8296
MdlNumber
MFCD00467655
Smiles
N=C(NCc1ccc(cc1)Cl)SCCCc1cnc[nH]1
Complexity
306
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
7
Xlogp3
3
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CatalogNumber: AA73277
ChemicalName: 3-(1H-Imidazol-5-yl)propyl 4-chlorobenzylcarbamimidothioate
CasNumber: 145231-45-4
MolecularFormula: C14H17ClN4S
MolecularWeight: 308.8296
MdlNumber: MFCD00467655
Smiles: N=C(NCc1ccc(cc1)Cl)SCCCc1cnc[nH]1
Complexity: 306
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 7
Xlogp3: 3
CatalogNumber:
AA73277
ChemicalName:
3-(1H-Imidazol-5-yl)propyl 4-chlorobenzylcarbamimidothioate
CasNumber:
145231-45-4
MolecularFormula:
C14H17ClN4S
MolecularWeight:
308.8296
MdlNumber:
MFCD00467655
Smiles:
N=C(NCc1ccc(cc1)Cl)SCCCc1cnc[nH]1
Complexity:
306
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
7
Xlogp3:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N=C(NCc1ccc(cc1)Cl)SCCCc1cnc[nH]1.Br.Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N=C(NCc1ccc(cc1)Cl)SCCCc1cnc[nH]1.Br.Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OS(=O)(=O)CCN1CCOCC1.O
Complexity: 214
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OS(=O)(=O)CCN1CCOCC1.O
Complexity:
214
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA73281
ChemicalName: Cholan-24-oic acid, 3,12-dihydroxy-, sodium salt, hydrate (1:1:1), (3α,5β,12α)-
CasNumber: 145224-92-6
MolecularFormula: C24H41NaO5
MolecularWeight: 432.5691
MdlNumber: MFCD00150750
Smiles: O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)[O-])C)C)C.[Na+].O
Complexity: 612
Covalently-bondedUnitCount: 3
HeavyAtomCount: 30
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 4
Xlogp3: __
CatalogNumber:
AA73281
ChemicalName:
Cholan-24-oic acid, 3,12-dihydroxy-, sodium salt, hydrate (1:1:1), (3α,5β,12α)-
CasNumber:
145224-92-6
MolecularFormula:
C24H41NaO5
MolecularWeight:
432.5691
MdlNumber:
MFCD00150750
Smiles:
O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)[O-])C)C)C.[Na+].O
Complexity:
612
Covalently-bondedUnitCount:
3
HeavyAtomCount:
30
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
4
Xlogp3:
__