(2S)-2-[(4S,4aS,5S,6S,8aS)-2-[(2,6-dichlorophenyl)amino]-5-hydroxy-4,8a-dimethyl-4H,4aH,5H,6H,7H,8H,9H-naphtho[2,3-d][1,3]thiazol-6-yl]-N-(2-methoxyethyl)propanamide
AlkaPlorer ID: AK260622
Synonym: None
IUPAC Name: (2S)-2-[(4R,4aS,5S,6S,8aR)-2-(2,6-dichloroanilino)-5-hydroxy-4,8a-dimethyl-4a,5,6,7,8,9-hexahydro-4H-benzo[f][1,3]benzothiazol-6-yl]-N-(2-methoxyethyl)propanamide
Structure
SMILES: COCCNC(=O)[C@@H](C)[C@@H]1CC[C@]2(C)CC3=C(N=C(NC4=C(Cl)C=CC=C4Cl)S3)[C@H](C)[C@@H]2[C@H]1O
InChI: InChI=1S/C25H33Cl2N3O3S/c1-13(23(32)28-10-11-33-4)15-8-9-25(3)12-18-20(14(2)19(25)22(15)31)29-24(34-18)30-21-16(26)6-5-7-17(21)27/h5-7,13-15,19,22,31H,8-12H2,1-4H3,(H,28,32)(H,29,30)/t13-,14+,15-,19+,22-,25+/m0/s1
InChIKey: HAMUSGLSEMQTCM-DBEWCZKESA-N
Reference
PubChem CID: 162807359
Source
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Properties Information
Molecule Weight: 526.5300000000001
TPSA？: 83.48
MolLogP？: 5.645200000000006
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 4
Activities Information
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