Basic information
- CAS
24167-33-7- Standard SMILES
CCN(CC)CCn1nc2c3c(c(C)ccc31)Sc1ccccc1-2- InChIKey
PZNBLEUYLIRHEG-UHFFFAOYSA-N- Molecular formula
- C20H23N3S
- Average molar mass
- 337.5 g/mol
- Monoisotopic mass
- 337.16126892
Names & identifiers
- Preferred name
- 2-(2-(Diethylamino)ethyl)-5-methyl-2H-(1)benzothiopyrano(4,3,2-cd)indazole
- IUPAC
- N,N-diethyl-2-(10-methyl-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-14-yl)ethanamine
- English name
- IA-5
- Molecular formula
- C20H23N3S
- Molecular weight
- 337.48
Names & synonyms
2H-(1)BENZOTHIOPYRANO(4,3,2-cd)INDAZOLE, 2-(2-(DIETHYLAMINO)ETHYL)-5-METHYL-652P8R83FR2-(2-(Diethylamino)ethyl)-5-methyl-2H-(1)benzothiopyrano(4,3,2-cd)indazoleDTXSID80178872RefChem:197549DTXCID40101363IA-524167-33-7BRN 0566040N,N-Diethyl-5-methyl-2H-(1)benzothiopyrano(4,3,2-cd)indazole-2-ethanamineUNII-652P8R83FRSCHEMBL7495129
Show more names
N,N-Diethyl-5-methyl-2H-[1]benzothiopyrano[4,3,2-cd]indazole-2-ethanamine2-[2-(Diethylamino)ethyl]-5-methyl-2H-[1]benzothiopyrano[4,3,2-cd]indazole2H-[1]Benzothiopyrano[4,3,2-cd]indazole-2-ethanamine, N,N-diethyl-5-methyl-5-Methyl-N,N-diethyl-2H-[1]benzothiopyrano[4,3,2-cd]indazole-2-ethan-1-amine
PZNBLEUYLIRHEG-UHFFFAOYSA-NEX-A92532-(2-(diethylamino)ethyl)-5-methyl-2H(1)benzothiopyrano[4,3,2-cd]indazoleN,N-Diethyl-2-(5-methyl-2H-[1]benzothiopyrano[4,3,2-cd]indazol-2-yl)ethan-1-amine
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 46.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 427
Physicochemical properties
- FDA UNII
- 652 P8R83FR · 652P8R83FR
Chemistry & industry
Suppliers6 total
上海钰博生物科技有限公司021-60514606 18321282235 · [email protected]
广东泛普生物科技有限公司19513720913 · [email protected]
上海博尔森生物科技有限公司021-67681877 13166061152 · [email protected]
上海雅吉生物科技有限公司021-34661276 15317085058 · [email protected]
上海联迈生物工程有限公司021-67680335 13052188602 · [email protected]
上海雅吉生物科技有限公司021-34661275 15301693058 · [email protected]
Related reactions
4 records
Compound notes
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