2-{2-[2-(dimethylamino)acetamido]-5-hydroxy-4,8a-dimethyl-4H,4aH,5H,6H,7H,8H,8aH,9H-naphtho[2,3-d][1,3]thiazol-6-yl}-N-methyl-N-(prop-2-en-1-yl)propanamide
AlkaPlorer ID: AK142613
Synonym: None
IUPAC Name: (2S)-2-[(4S,4aS,5S,6S,8aS)-2-[[2-(dimethylamino)acetyl]amino]-5-hydroxy-4,8a-dimethyl-4a,5,6,7,8,9-hexahydro-4H-benzo[f][1,3]benzothiazol-6-yl]-N-methyl-N-prop-2-enylpropanamide
Structure
SMILES: C=CCN(C)C(=O)[C@@H](C)[C@@H]1CC[C@@]2(C)CC3=C(N=C(NC(=O)CN(C)C)S3)[C@@H](C)[C@@H]2[C@H]1O
InChI: InChI=1S/C24H38N4O3S/c1-8-11-28(7)22(31)14(2)16-9-10-24(4)12-17-20(15(3)19(24)21(16)30)26-23(32-17)25-18(29)13-27(5)6/h8,14-16,19,21,30H,1,9-13H2,2-7H3,(H,25,26,29)/t14-,15-,16-,19+,21-,24-/m0/s1
InChIKey: HUHZRKCFOAXIKG-QXMSTPFKSA-N
Source
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Properties Information
Molecule Weight: 462.66000000000014
TPSA？: 85.77000000000001
MolLogP？: 2.976700000000001
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 3
Activities Information
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