N-[(6S,7S)-13-(5-chloro-2-methoxyphenyl)-2,8-dioxo-3,9-diazatricyclo[8.4.0.0³,⁷]tetradeca-1(14),10,12-trien-6-yl]-4-methyl-1,2,3-thiadiazole-5-carboxamide
AlkaPlorer ID: AK159686
Synonym: None
IUPAC Name: N-[(6aS,7S)-2-(5-chloro-2-methoxyphenyl)-6,11-dioxo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]-4-methylthiadiazole-5-carboxamide
Structure
SMILES: COC1=CC=C(Cl)C=C1C1=CC=C2NC(=O)[C@@H]3[C@@H](NC(=O)C4=C(C)N=NS4)CCN3C(=O)C2=C1
InChI: InChI=1S/C23H20ClN5O4S/c1-11-20(34-28-27-11)22(31)26-17-7-8-29-19(17)21(30)25-16-5-3-12(9-15(16)23(29)32)14-10-13(24)4-6-18(14)33-2/h3-6,9-10,17,19H,7-8H2,1-2H3,(H,25,30)(H,26,31)/t17-,19-/m0/s1
InChIKey: PYLPFZOBIDVHBC-HKUYNNGSSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 497.9640000000003
TPSA？: 113.52
MolLogP？: 3.1407200000000017
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|