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264273-08-7 | 2H-2-Benzazepine-2-acetic acid, 4-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-1,3,4,5-tetrahydro-3-oxo-, (4S)-
CAS No: 264273-08-7 Catalog No: AG002T6P MDL No:MFCD04112699
Product Description
Catalog Number:
AG002T6P
Chemical Name:
2H-2-Benzazepine-2-acetic acid, 4-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-1,3,4,5-tetrahydro-3-oxo-, (4S)-
CAS Number:
264273-08-7
Molecular Formula:
C27H24N2O5
Molecular Weight:
456.4899
MDL Number:
MFCD04112699
IUPAC Name:
2-[(4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxo-4,5-dihydro-1H-2-benzazepin-2-yl]acetic acid
InChI:
InChI=1S/C27H24N2O5/c30-25(31)15-29-14-18-8-2-1-7-17(18)13-24(26(29)32)28-27(33)34-16-23-21-11-5-3-9-19(21)20-10-4-6-12-22(20)23/h1-12,23-24H,13-16H2,(H,28,33)(H,30,31)/t24-/m0/s1
InChI Key:
RPAHAHMAXJASPS-DEOSSOPVSA-N
SMILES:
OC(=O)CN1Cc2ccccc2C[C@@H](C1=O)NC(=O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
750
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
456.169g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
456.498g/mol
Monoisotopic Mass:
456.169g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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