2-[2-(2,6-difluorobenzamido)-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4H,4aH,5H,6H,7H,8H,8aH,9H-naphtho[2,3-d][1,3]thiazol-4-yl]acetic acid
AlkaPlorer ID: AK159425
Synonym: None
IUPAC Name: 2-[(4S,4aR,7R,8R,8aS)-2-[(2,6-difluorobenzoyl)amino]-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]acetic acid
Structure
SMILES: C[C@]1(CO)[C@H]2CC3=C(N=C(NC(=O)C4=C(F)C=CC=C4F)S3)[C@@H](CC(=O)O)[C@]2(C)CC[C@H]1O
InChI: InChI=1S/C23H26F2N2O5S/c1-22-7-6-16(29)23(2,10-28)15(22)9-14-19(11(22)8-17(30)31)26-21(33-14)27-20(32)18-12(24)4-3-5-13(18)25/h3-5,11,15-16,28-29H,6-10H2,1-2H3,(H,30,31)(H,26,27,32)/t11-,15+,16-,22+,23+/m1/s1
InChIKey: XVTJOVUNELDWDL-BVJIPAKMSA-N
Source
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Properties Information
Molecule Weight: 480.5330000000002
TPSA？: 119.75
MolLogP？: 3.5638000000000027
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 4
Activities Information
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