2-[(4S,4aR,7R,8R,8aS)-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-2-(phenylamino)-4H,5H,6H,7H,8aH,9H-naphtho[2,3-d][1,3]thiazol-4-yl]-N-(prop-2-yn-1-yl)acetamide
AlkaPlorer ID: AK277460
Synonym: None
IUPAC Name: 2-[(4S,4aR,7R,8R,8aS)-2-anilino-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-N-prop-2-ynylacetamide
Structure
SMILES: C#CCNC(=O)C[C@@H]1C2=C(C[C@@H]3[C@](C)(CO)[C@H](O)CC[C@]31C)SC(NC1=CC=CC=C1)=N2
InChI: InChI=1S/C25H31N3O3S/c1-4-12-26-21(31)13-17-22-18(32-23(28-22)27-16-8-6-5-7-9-16)14-19-24(17,2)11-10-20(30)25(19,3)15-29/h1,5-9,17,19-20,29-30H,10-15H2,2-3H3,(H,26,31)(H,27,28)/t17-,19+,20-,24+,25+/m1/s1
InChIKey: SWUQAVJPVVLIME-IGDHQNPBSA-N
Source
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Properties Information
Molecule Weight: 453.6080000000002
TPSA？: 94.48
MolLogP？: 3.4417000000000018
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 4
Activities Information
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