1H-(1,2,5)Thiadiazolo(4,3,2-jk)(1,4)benzodiazepine, 9-chloro-6-(cyclopropylmethyl)-4,5,6,7-tetrahydro-5-methyl-, 2,2-dioxide
Basic information
- CAS
136722-88-8- Standard SMILES
CC1CN2c3c(cc(Cl)cc3NS2(=O)=O)CN1CC1CC1- InChIKey
LUMJACVICIMYFZ-UHFFFAOYSA-N- Molecular formula
- C14H18ClN3O2S
- Average molar mass
- 327.8 g/mol
- Monoisotopic mass
- 327.0808257
Names & identifiers
- Preferred name
- 1H-(1,2,5)Thiadiazolo(4,3,2-jk)(1,4)benzodiazepine, 9-chloro-6-(cyclopropylmethyl)-4,5,6,7-tetrahydro-5-methyl-, 2,2-dioxide
- IUPAC
- 6-chloro-10-(cyclopropylmethyl)-11-methyl-2λ6-thia-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene 2,2-dioxide
Names & synonyms
136722-88-81H-(1,2,5)Thiadiazolo(4,3,2-jk)(1,4)benzodiazepine, 9-chloro-6-(cyclopropylmethyl)-4,5,6,7-tetrahydro-5-methyl-, 2,2-dioxide1H-(1,2,5)Thiadiazolo(4,3,2-jk)(1,4)benzodiazepine, 9-chloro-6-(cyclopropylmethyl)-4,5,6,7-tetrahydro-5-methyl-, 2,2-dioxide, (1)-1H-[1,2,5]Thiadiazolo[4,3,2-jk][1,4]benzodiazepine, 9-chloro-6-(cyclopropylmethyl)-4,5,6,7-tetrahydro-5-methyl-, 2,2-dioxide1H-[1,2,5]Thiadiazolo[4,3,2-jk][1,4]benzodiazepine, 9-chloro-6-(cyclopropylmethyl)-4,5,6,7-tetrahydro-5-methyl-, 2,2-dioxide, (1)-CHEMBL108314DTXSID20929522chloro-(cyclopropylmethyl)-methyl-[?] dioxide9-Chloro-6-(cyclopropylmethyl)-5-methyl-4,5,6,7-tetrahydro-2lambda~6~-[1,2,5]thiadiazolo[4,3,2-jk][1,4]benzodiazepine-2,2(1H)-dione
Database identifiers
- CAS
136722-88-8- PubChem CID
- 453593
- DTXSID
DTXSID20929522- ChEMBL
CHEMBL108314
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 61 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 519
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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