AV18284
236406-44-3 | rel-1,1-Dimethylethyl (3aR,8aS)-octahydro-6-(phenylmethyl)pyrrolo[3,4-d]azepine-2(1H)-carboxylate
Manufacturer: A2B Chem
CAS Number: 236406-44-3
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Catalog Number
AV18284
Chemical Name
rel-1,1-Dimethylethyl (3aR,8aS)-octahydro-6-(phenylmethyl)pyrrolo[3,4-d]azepine-2(1H)-carboxylate
Cas Number
236406-44-3
Molecular Formula
C20H30N2O2
Molecular Weight
330.4644
Mdl Number
MFCD31579921
Smiles
O=C(N1C[C@@H]2[C@H](C1)CCN(CC2)Cc1ccccc1)OC(C)(C)C
Complexity
410
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
2
Heavy Atom Count
24
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Xlogp3
3.4
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | tert-Butyl (3aS,8aR)-6-benzyl-1,3,3a,4,5,7,8,8a-octahydropyrrolo[3,4-d]azepine-2-carboxylate | ChemScene | ₹ 1,10,286.84 |
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Catalog Number: AV18284
Chemical Name: rel-1,1-Dimethylethyl (3aR,8aS)-octahydro-6-(phenylmethyl)pyrrolo[3,4-d]azepine-2(1H)-carboxylate
Cas Number: 236406-44-3
Molecular Formula: C20H30N2O2
Molecular Weight: 330.4644
Mdl Number: MFCD31579921
Smiles: O=C(N1C[C@@H]2[C@H](C1)CCN(CC2)Cc1ccccc1)OC(C)(C)C
Complexity: 410
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 2
Heavy Atom Count: 24
Hydrogen Bond Acceptor Count: 3
Rotatable Bond Count: 4
Xlogp3: 3.4
Catalog Number:
AV18284
Chemical Name:
rel-1,1-Dimethylethyl (3aR,8aS)-octahydro-6-(phenylmethyl)pyrrolo[3,4-d]azepine-2(1H)-carboxylate
Cas Number:
236406-44-3
Molecular Formula:
C20H30N2O2
Molecular Weight:
330.4644
Mdl Number:
MFCD31579921
Smiles:
O=C(N1C[C@@H]2[C@H](C1)CCN(CC2)Cc1ccccc1)OC(C)(C)C
Complexity:
410
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Xlogp3:
3.4
Catalog Number: __
Chemical Name: __
Cas Number: __
Molecular Formula: __
Molecular Weight: __
Mdl Number: __
Smiles: N#CCc1cccc(n1)c1ccc(cc1)Cl
Complexity: 262
Covalently-Bonded Unit Count: __
Defined Atom Stereocenter Count: __
Heavy Atom Count: __
Hydrogen Bond Acceptor Count: __
Rotatable Bond Count: __
Xlogp3: 2.8
Catalog Number:
__
Chemical Name:
__
Cas Number:
__
Molecular Formula:
__
Molecular Weight:
__
Mdl Number:
__
Smiles:
N#CCc1cccc(n1)c1ccc(cc1)Cl
Complexity:
262
Covalently-Bonded Unit Count:
__
Defined Atom Stereocenter Count:
__
Heavy Atom Count:
__
Hydrogen Bond Acceptor Count:
__
Rotatable Bond Count:
__
Xlogp3:
2.8
Catalog Number: __
Chemical Name: __
Cas Number: __
Molecular Formula: __
Molecular Weight: __
Mdl Number: __
Smiles: N[C@@H]1CCC[C@@H](C1)NC(=O)OCc1ccccc1
Complexity: 265
Covalently-Bonded Unit Count: __
Defined Atom Stereocenter Count: __
Heavy Atom Count: __
Hydrogen Bond Acceptor Count: __
Rotatable Bond Count: __
Xlogp3: 1.8
Catalog Number:
__
Chemical Name:
__
Cas Number:
__
Molecular Formula:
__
Molecular Weight:
__
Mdl Number:
__
Smiles:
N[C@@H]1CCC[C@@H](C1)NC(=O)OCc1ccccc1
Complexity:
265
Covalently-Bonded Unit Count:
__
Defined Atom Stereocenter Count:
__
Heavy Atom Count:
__
Hydrogen Bond Acceptor Count:
__
Rotatable Bond Count:
__
Xlogp3:
1.8
Catalog Number: __
Chemical Name: __
Cas Number: __
Molecular Formula: __
Molecular Weight: __
Mdl Number: __
Smiles: O=C(OC(C)(C)C)NCC1OCCc2c1nn(c2)Cc1ccccc1
Complexity: 446
Covalently-Bonded Unit Count: __
Defined Atom Stereocenter Count: __
Heavy Atom Count: __
Hydrogen Bond Acceptor Count: __
Rotatable Bond Count: __
Xlogp3: 2.3
Catalog Number:
__
Chemical Name:
__
Cas Number:
__
Molecular Formula:
__
Molecular Weight:
__
Mdl Number:
__
Smiles:
O=C(OC(C)(C)C)NCC1OCCc2c1nn(c2)Cc1ccccc1
Complexity:
446
Covalently-Bonded Unit Count:
__
Defined Atom Stereocenter Count:
__
Heavy Atom Count:
__
Hydrogen Bond Acceptor Count:
__
Rotatable Bond Count:
__
Xlogp3:
2.3