AV18224
150159-13-0 | 6,7-Dihydro-1-methyl-pyrrolo[2,3-c]azepine-4,8(1h,5h)-dione
Manufacturer: A2B Chem
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CatalogNumber
AV18224
ChemicalName
6,7-Dihydro-1-methyl-pyrrolo[2,3-c]azepine-4,8(1h,5h)-dione
CasNumber
150159-13-0
MolecularFormula
C9H10N2O2
MolecularWeight
178.1879
MdlNumber
MFCD12964900
Smiles
O=C1CCNC(=O)c2c1ccn2C
Complexity
252
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
Xlogp3
-0.2
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CatalogNumber: AV18224
ChemicalName: 6,7-Dihydro-1-methyl-pyrrolo[2,3-c]azepine-4,8(1h,5h)-dione
CasNumber: 150159-13-0
MolecularFormula: C9H10N2O2
MolecularWeight: 178.1879
MdlNumber: MFCD12964900
Smiles: O=C1CCNC(=O)c2c1ccn2C
Complexity: 252
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
Xlogp3: -0.2
CatalogNumber:
AV18224
ChemicalName:
6,7-Dihydro-1-methyl-pyrrolo[2,3-c]azepine-4,8(1h,5h)-dione
CasNumber:
150159-13-0
MolecularFormula:
C9H10N2O2
MolecularWeight:
178.1879
MdlNumber:
MFCD12964900
Smiles:
O=C1CCNC(=O)c2c1ccn2C
Complexity:
252
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
Xlogp3:
-0.2
CatalogNumber: AV18225
ChemicalName: (S)-2-Benzamido-3-(4-fluorophenyl)propanoic acid
CasNumber: 143120-37-0
MolecularFormula: C16H14FNO3
MolecularWeight: 287.2857
MdlNumber: MFCD28992013
Smiles: OC(=O)[C@@H](NC(=O)c1ccccc1)Cc1ccc(cc1)F
Complexity: 361
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
Xlogp3: 2.9
CatalogNumber:
AV18225
ChemicalName:
(S)-2-Benzamido-3-(4-fluorophenyl)propanoic acid
CasNumber:
143120-37-0
MolecularFormula:
C16H14FNO3
MolecularWeight:
287.2857
MdlNumber:
MFCD28992013
Smiles:
OC(=O)[C@@H](NC(=O)c1ccccc1)Cc1ccc(cc1)F
Complexity:
361
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
Xlogp3:
2.9
CatalogNumber: AV18226
ChemicalName: tert-Butyl 4-(3-aminopyrazin-2-yl)-2-fluorobenzoate
CasNumber: 1715031-88-1
MolecularFormula: C15H16FN3O2
MolecularWeight: 289.3048
MdlNumber: MFCD28991985
Smiles: O=C(c1ccc(cc1F)c1nccnc1N)OC(C)(C)C
Complexity: 372
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
Xlogp3: 2
CatalogNumber:
AV18226
ChemicalName:
tert-Butyl 4-(3-aminopyrazin-2-yl)-2-fluorobenzoate
CasNumber:
1715031-88-1
MolecularFormula:
C15H16FN3O2
MolecularWeight:
289.3048
MdlNumber:
MFCD28991985
Smiles:
O=C(c1ccc(cc1F)c1nccnc1N)OC(C)(C)C
Complexity:
372
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
Xlogp3:
2
CatalogNumber: AV18227
ChemicalName: Octahydro-2H-pyrano[3,2-c]pyridine hydrochloride
CasNumber: 1363404-73-2
MolecularFormula: C8H16ClNO
MolecularWeight: 177.6717
MdlNumber: MFCD21607362
Smiles: C1COC2C(C1)CNCC2.Cl
Complexity: 116
Covalently-bondedUnitCount: 2
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
Xlogp3: __
CatalogNumber:
AV18227
ChemicalName:
Octahydro-2H-pyrano[3,2-c]pyridine hydrochloride
CasNumber:
1363404-73-2
MolecularFormula:
C8H16ClNO
MolecularWeight:
177.6717
MdlNumber:
MFCD21607362
Smiles:
C1COC2C(C1)CNCC2.Cl
Complexity:
116
Covalently-bondedUnitCount:
2
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
Xlogp3:
__