AE10371
1197196-48-7 | UNC0224
Manufacturer: A2B Chem
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CatalogNumber
AE10371
ChemicalName
UNC0224
CasNumber
1197196-48-7
MolecularFormula
C26H43N7O2
MolecularWeight
485.6653199999998
MdlNumber
MFCD18251564
Smiles
COc1cc2c(cc1OCCCN(C)C)nc(nc2NC1CCN(CC1)C)N1CCCN(CC1)C
Complexity
619
Covalently-bondedUnitCount
1
HeavyAtomCount
35
HydrogenBondAcceptorCount
9
HydrogenBondDonorCount
1
RotatableBondCount
9
Xlogp3
3.4
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CatalogNumber: AE10371
ChemicalName: UNC0224
CasNumber: 1197196-48-7
MolecularFormula: C26H43N7O2
MolecularWeight: 485.6653199999998
MdlNumber: MFCD18251564
Smiles: COc1cc2c(cc1OCCCN(C)C)nc(nc2NC1CCN(CC1)C)N1CCCN(CC1)C
Complexity: 619
Covalently-bondedUnitCount: 1
HeavyAtomCount: 35
HydrogenBondAcceptorCount: 9
HydrogenBondDonorCount: 1
RotatableBondCount: 9
Xlogp3: 3.4
CatalogNumber:
AE10371
ChemicalName:
UNC0224
CasNumber:
1197196-48-7
MolecularFormula:
C26H43N7O2
MolecularWeight:
485.6653199999998
MdlNumber:
MFCD18251564
Smiles:
COc1cc2c(cc1OCCCN(C)C)nc(nc2NC1CCN(CC1)C)N1CCCN(CC1)C
Complexity:
619
Covalently-bondedUnitCount:
1
HeavyAtomCount:
35
HydrogenBondAcceptorCount:
9
HydrogenBondDonorCount:
1
RotatableBondCount:
9
Xlogp3:
3.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC[C@H]1OC(=O)/C(=C/N(CCCN(C)C)C)/C2=C(C(=O)C3=C([C@@]12C)[C@H](OC(=O)C)C[C@]1([C@H]3CC[C@@H]1OC(=O)CCCCCCC(=O)O[C@@H]1CC[C@H](C[C@H]1OC)C[C@H]([C@@H]1CC(=O)[C@H](C)/C=C(C)/[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C(/[C@H](C[C@H]2O[C@](C(=O)C(=O)N3[C@H](C(=O)O1)CCCC3)(O)[C@H](C)CC2)OC)C)C)C)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC[C@H]1OC(=O)/C(=C/N(CCCN(C)C)C)/C2=C(C(=O)C3=C([C@@]12C)[C@H](OC(=O)C)C[C@]1([C@H]3CC[C@@H]1OC(=O)CCCCCCC(=O)O[C@@H]1CC[C@H](C[C@H]1OC)C[C@H]([C@@H]1CC(=O)[C@H](C)/C=C(C)/[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C(/[C@H](C[C@H]2O[C@](C(=O)C(=O)N3[C@H](C(=O)O1)CCCC3)(O)[C@H](C)CC2)OC)C)C)C)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)Nc1ccc(cc1)c1nc(N2CCOCC2)c2c(n1)n(nc2)C1CCN(CC1)C(=O)OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)Nc1ccc(cc1)c1nc(N2CCOCC2)c2c(n1)n(nc2)C1CCN(CC1)C(=O)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AE10374
ChemicalName: Q-VD-Oph
CasNumber: 1135695-98-5
MolecularFormula: C26H25F2N3O6
MolecularWeight: 513.4900064
MdlNumber: MFCD08669741
Smiles: OC(=O)C[C@@H](C(=O)COc1c(F)cccc1F)NC(=O)[C@H](C(C)C)NC(=O)c1ccc2c(n1)cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AE10374
ChemicalName:
Q-VD-Oph
CasNumber:
1135695-98-5
MolecularFormula:
C26H25F2N3O6
MolecularWeight:
513.4900064
MdlNumber:
MFCD08669741
Smiles:
OC(=O)C[C@@H](C(=O)COc1c(F)cccc1F)NC(=O)[C@H](C(C)C)NC(=O)c1ccc2c(n1)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__