AE10912
117642-16-7 | Ethyl 2-amino-4H,5H,7H-thieno[2,3-c]pyran-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AE10912
ChemicalName
Ethyl 2-amino-4H,5H,7H-thieno[2,3-c]pyran-3-carboxylate
CasNumber
117642-16-7
MolecularFormula
C10H13NO3S
MolecularWeight
227.2801
MdlNumber
MFCD05664038
Smiles
CCOC(=O)c1c(N)sc2c1CCOC2
Complexity
249
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.7
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CatalogNumber: AE10912
ChemicalName: Ethyl 2-amino-4H,5H,7H-thieno[2,3-c]pyran-3-carboxylate
CasNumber: 117642-16-7
MolecularFormula: C10H13NO3S
MolecularWeight: 227.2801
MdlNumber: MFCD05664038
Smiles: CCOC(=O)c1c(N)sc2c1CCOC2
Complexity: 249
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.7
CatalogNumber:
AE10912
ChemicalName:
Ethyl 2-amino-4H,5H,7H-thieno[2,3-c]pyran-3-carboxylate
CasNumber:
117642-16-7
MolecularFormula:
C10H13NO3S
MolecularWeight:
227.2801
MdlNumber:
MFCD05664038
Smiles:
CCOC(=O)c1c(N)sc2c1CCOC2
Complexity:
249
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.7
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Smiles: N#Cc1ccc2[n+](c1)c1c3cnc(c(n3)O[C@H](C)c3c(C(=O)N(Cc1[nH]2)C)ccc(c3)F)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
N#Cc1ccc2[n+](c1)c1c3cnc(c(n3)O[C@H](C)c3c(C(=O)N(Cc1[nH]2)C)ccc(c3)F)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: NCC(=O)N[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)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCC(=O)N)CC(C)C)Cc1ccc(cc1)O)CCC(=O)O)CCC(=O)O)[C@H](CC)C)CCC(=O)O)CCC(=O)O)Cc1ccccc1)CC(=O)O
Complexity: __
Covalently-bondedUnitCount: __
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HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularWeight:
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Smiles:
NCC(=O)N[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)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCC(=O)N)CC(C)C)Cc1ccc(cc1)O)CCC(=O)O)CCC(=O)O)[C@H](CC)C)CCC(=O)O)CCC(=O)O)Cc1ccccc1)CC(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCC(=O)N[C@H](C(=O)Nc1cc(OC)c2c(c1)cccc2)CCCNC(=N)N.Cl.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
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ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
NCC(=O)N[C@H](C(=O)Nc1cc(OC)c2c(c1)cccc2)CCCNC(=N)N.Cl.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__