Molecule ID: 15346742

IUPAC Name: (2S)-9-(furan-3-carbonyl)-2-phenyl-1,5,9-triazacyclotridecan-4-one

Description: The molecule is a cyclic spermidine alkaloid that is 2-phenyl-1,5,9-triazacyclotridecan-4-one in which the amino hydrogen at position 9 has been replaced by a furan-3-carbonyl group. It is an azamacrocycle, a lactam, a spermidine alkaloid and a member of furans.

SMILES: O=C(c1ccoc1)N1CCCCN[C@H](c2ccccc2)CC(O)=NCCC1

SELFIES: [O][=C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][N][C][C][C][C][N][C@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][C][O][=N][C][C][C][Ring2][Ring1][Ring2]

InChI: InChI=1S/C21H27N3O3/c25-20-15-19(17-7-2-1-3-8-17)22-10-4-5-12-24(13-6-11-23-20)21(26)18-9-14-27-16-18/h1-3,7-9,14,16,19,22H,4-6,10-13,15H2,(H,23,25)/t19-/m0/s1

Molecular Properties:
- Polar Surface Area: 74.6 Ų
- LogP: 1.6