AV18341
1203852-75-8 | Ethyl 1-(2-(methoxycarbonyl)-4-nitrophenyl)-5-methyl-1h-imidazole-4-carboxylate
Manufacturer: A2B Chem
CAS Number: 1203852-75-8
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Catalog Number
AV18341
Chemical Name
Ethyl 1-(2-(methoxycarbonyl)-4-nitrophenyl)-5-methyl-1h-imidazole-4-carboxylate
Cas Number
1203852-75-8
Molecular Formula
C15H15N3O6
Molecular Weight
333.2961
Mdl Number
MFCD31555320
Smiles
CCOC(=O)c1ncn(c1C)c1ccc(cc1C(=O)OC)[N+](=O)[O-]
Complexity
494
Covalently-Bonded Unit Count
1
Heavy Atom Count
24
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
6
Xlogp3
2.3
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Catalog Number: AV18341
Chemical Name: Ethyl 1-(2-(methoxycarbonyl)-4-nitrophenyl)-5-methyl-1h-imidazole-4-carboxylate
Cas Number: 1203852-75-8
Molecular Formula: C15H15N3O6
Molecular Weight: 333.2961
Mdl Number: MFCD31555320
Smiles: CCOC(=O)c1ncn(c1C)c1ccc(cc1C(=O)OC)[N+](=O)[O-]
Complexity: 494
Covalently-Bonded Unit Count: 1
Heavy Atom Count: 24
Hydrogen Bond Acceptor Count: 7
Rotatable Bond Count: 6
Xlogp3: 2.3
Catalog Number:
AV18341
Chemical Name:
Ethyl 1-(2-(methoxycarbonyl)-4-nitrophenyl)-5-methyl-1h-imidazole-4-carboxylate
Cas Number:
1203852-75-8
Molecular Formula:
C15H15N3O6
Molecular Weight:
333.2961
Mdl Number:
MFCD31555320
Smiles:
CCOC(=O)c1ncn(c1C)c1ccc(cc1C(=O)OC)[N+](=O)[O-]
Complexity:
494
Covalently-Bonded Unit Count:
1
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
6
Xlogp3:
2.3
Catalog Number: __
Chemical Name: __
Cas Number: __
Molecular Formula: __
Molecular Weight: __
Mdl Number: __
Smiles: O=C(N1C[C@@H]2[C@H](C1)[C@H]2CC(=O)O)OC(C)(C)C
Complexity: 335
Covalently-Bonded Unit Count: __
Heavy Atom Count: __
Hydrogen Bond Acceptor Count: __
Rotatable Bond Count: __
Xlogp3: 0.9
Catalog Number:
__
Chemical Name:
__
Cas Number:
__
Molecular Formula:
__
Molecular Weight:
__
Mdl Number:
__
Smiles:
O=C(N1C[C@@H]2[C@H](C1)[C@H]2CC(=O)O)OC(C)(C)C
Complexity:
335
Covalently-Bonded Unit Count:
__
Heavy Atom Count:
__
Hydrogen Bond Acceptor Count:
__
Rotatable Bond Count:
__
Xlogp3:
0.9
Catalog Number: AV18343
Chemical Name: tert-butyl (2R,5S)-2-(hydroxymethyl)-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate
Cas Number: 1446012-36-7
Molecular Formula: C13H23NO4
Molecular Weight: 257.326
Mdl Number: MFCD31758475
Smiles: OC[C@H]1CC[C@]2(O1)CCN(C2)C(=O)OC(C)(C)C
Complexity: 325
Covalently-Bonded Unit Count: 1
Heavy Atom Count: 18
Hydrogen Bond Acceptor Count: 4
Rotatable Bond Count: 3
Xlogp3: 0.8
Catalog Number:
AV18343
Chemical Name:
tert-butyl (2R,5S)-2-(hydroxymethyl)-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate
Cas Number:
1446012-36-7
Molecular Formula:
C13H23NO4
Molecular Weight:
257.326
Mdl Number:
MFCD31758475
Smiles:
OC[C@H]1CC[C@]2(O1)CCN(C2)C(=O)OC(C)(C)C
Complexity:
325
Covalently-Bonded Unit Count:
1
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Xlogp3:
0.8
Catalog Number: AV18344
Chemical Name: 2-(2-(2-(Benzyloxy)ethoxy)ethoxy)ethyl 4-methylbenzenesulfonate
Cas Number: 84131-04-4
Molecular Formula: C20H26O6S
Molecular Weight: 394.4818
Mdl Number: MFCD31555345
Smiles: Cc1ccc(cc1)S(=O)(=O)OCCOCCOCCOCc1ccccc1
Complexity: 461
Covalently-Bonded Unit Count: 1
Heavy Atom Count: 27
Hydrogen Bond Acceptor Count: 6
Rotatable Bond Count: 13
Xlogp3: 2.6
Catalog Number:
AV18344
Chemical Name:
2-(2-(2-(Benzyloxy)ethoxy)ethoxy)ethyl 4-methylbenzenesulfonate
Cas Number:
84131-04-4
Molecular Formula:
C20H26O6S
Molecular Weight:
394.4818
Mdl Number:
MFCD31555345
Smiles:
Cc1ccc(cc1)S(=O)(=O)OCCOCCOCCOCc1ccccc1
Complexity:
461
Covalently-Bonded Unit Count:
1
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
13
Xlogp3:
2.6