2-({2-[(1R,9S)-5-{2-[(dimethylammonio)methyl]phenyl}-6-oxo-7,11-diazatricyclo[7.3.1.0²,⁷]trideca-2,4-dien-11-yl]-2-oxoethyl}sulfanyl)acetate
AlkaPlorer ID: AK387312
Synonym: None
IUPAC Name: 2-[2-[5-[2-[(dimethylamino)methyl]phenyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-2-oxoethyl]sulfanylacetic acid
Structure
SMILES: CN(C)CC1=CC=CC=C1C1=CC=C2C3CC(CN(C(=O)CSCC(=O)O)C3)CN2C1=O
InChI: InChI=1S/C24H29N3O4S/c1-25(2)12-17-5-3-4-6-19(17)20-7-8-21-18-9-16(11-27(21)24(20)31)10-26(13-18)22(28)14-32-15-23(29)30/h3-8,16,18H,9-15H2,1-2H3,(H,29,30)
InChIKey: GGISEMIBSADITE-UHFFFAOYSA-N
Source
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Properties Information
Molecule Weight: 455.58000000000027
TPSA？: 82.85
MolLogP？: 2.3404000000000007
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 4
Activities Information
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