[(4R,6R,7S,8R)-7-methoxy-12-methyl-11-[(4-methyl-1,3-thiazol-2-yl)amino]-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
Basic information
- CAS
84397-36-4- Standard SMILES
CO[C@@]12[C@@H]3N[C@@H]3CN1C1=C(C(=O)C(Nc3nc(C)cs3)=C(C)C1=O)[C@@H]2COC(N)=O- InChIKey
GJMYQLAUNLWMMV-ATEKAGDGSA-N- Molecular formula
- C19H21N5O5S
- Average molar mass
- 431.5 g/mol
- Monoisotopic mass
- 431.12633996
Names & identifiers
- Preferred name
- [(4R,6R,7S,8R)-7-methoxy-12-methyl-11-[(4-methyl-1,3-thiazol-2-yl)amino]-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
- IUPAC
- [(4R,6R,7S,8R)-7-methoxy-12-methyl-11-[(4-methyl-1,3-thiazol-2-yl)amino]-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
Names & synonyms
NSC329041NSC-329041Azirino[2',4]pyrrolo[1,2-a]indole-4,7-dione, 8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-6-[(4-methyl-2-thiazolyl)amino]-, [1aR-(1a.alpha.,8.beta.,8a.alpha.,8b.alpha.)]-
Database identifiers
- CAS
84397-36-4- PubChem CID
- 332344
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 174 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 919
Experimental & physicochemical properties
LogP1.16
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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