AC1MTSPQ
N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide
Also Known As: F0528-1002|(1s,3s)-N-((5-((2-(benzo[d]thiazol-2-ylamino)-2-oxoethyl)thio)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)methyl)adamantane-1-carboxamide|N-{[5-({[(1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl}adamantane-1-carboxamide|N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide
| Molecular Formula | C30H32N6O3S2 |
|---|---|
| Molecular Weight | 588.19775 g/mol |
| LogP | 5.449 |
| Topological Polar Surface Area | 111.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 588.19775 |
| Monoisotopic Mass | 588.19775 |
| Heavy Atoms | 41 |
| Complexity | 1528.9746 |
Chemical Identifiers
| CAS Number | 477299-71-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=NC4=CC=CC=C4S3)CNC(=O)C56CC7CC(C5)CC(C7)C6 |
Product Overview
AC1MTSPQ (CAS 477299-71-1), with molecular formula C30H32N6O3S2 and molecular weight 588.19775 g/mol. IUPAC: N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide.
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