AE36051
1338247-35-0 | BMS-5
Manufacturer: A2B Chem
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CatalogNumber
AE36051
ChemicalName
BMS-5
CasNumber
1338247-35-0
MolecularFormula
C17H14Cl2F2N4OS
MolecularWeight
431.28706639999984
MdlNumber
MFCD17019327
Smiles
O=C(C(C)C)Nc1ncc(s1)c1cc(nn1c1c(Cl)cccc1Cl)C(F)F
Complexity
523
Covalently-bondedUnitCount
1
HeavyAtomCount
27
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
5.1
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CatalogNumber: AE36051
ChemicalName: BMS-5
CasNumber: 1338247-35-0
MolecularFormula: C17H14Cl2F2N4OS
MolecularWeight: 431.28706639999984
MdlNumber: MFCD17019327
Smiles: O=C(C(C)C)Nc1ncc(s1)c1cc(nn1c1c(Cl)cccc1Cl)C(F)F
Complexity: 523
Covalently-bondedUnitCount: 1
HeavyAtomCount: 27
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 5.1
CatalogNumber:
AE36051
ChemicalName:
BMS-5
CasNumber:
1338247-35-0
MolecularFormula:
C17H14Cl2F2N4OS
MolecularWeight:
431.28706639999984
MdlNumber:
MFCD17019327
Smiles:
O=C(C(C)C)Nc1ncc(s1)c1cc(nn1c1c(Cl)cccc1Cl)C(F)F
Complexity:
523
Covalently-bondedUnitCount:
1
HeavyAtomCount:
27
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
5.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(c1cccc(c1)B(O)O)N1CCNCC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(c1cccc(c1)B(O)O)N1CCNCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AE36053
ChemicalName: Bttaa
CasNumber: 1334179-85-9
MolecularFormula: C19H30N10O2
MolecularWeight: 430.5073
MdlNumber: MFCD29918287
Smiles: OC(=O)Cn1nnc(c1)CN(Cc1nnn(c1)C(C)(C)C)Cc1nnn(c1)C(C)(C)C
Complexity: 574
Covalently-bondedUnitCount: 1
HeavyAtomCount: 31
HydrogenBondAcceptorCount: 9
HydrogenBondDonorCount: 1
RotatableBondCount: 10
Xlogp3: -2.6
CatalogNumber:
AE36053
ChemicalName:
Bttaa
CasNumber:
1334179-85-9
MolecularFormula:
C19H30N10O2
MolecularWeight:
430.5073
MdlNumber:
MFCD29918287
Smiles:
OC(=O)Cn1nnc(c1)CN(Cc1nnn(c1)C(C)(C)C)Cc1nnn(c1)C(C)(C)C
Complexity:
574
Covalently-bondedUnitCount:
1
HeavyAtomCount:
31
HydrogenBondAcceptorCount:
9
HydrogenBondDonorCount:
1
RotatableBondCount:
10
Xlogp3:
-2.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1SC(=Cc2ccc(o2)c2ccc(cc2)F)C(=O)N1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1SC(=Cc2ccc(o2)c2ccc(cc2)F)C(=O)N1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__