Carbamic acid, (9-chloro-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)imidazo(4,5,1-jk)(1,4)benzodiazepin-2-yl)-, methyl ester, (S)-
Basic information
- CAS
136722-79-7- Standard SMILES
COC(=O)Nc1nc2cc(Cl)cc3c2n1C[C@H](C)N(CC=C(C)C)C3- InChIKey
RTCDKTPPMZMKBH-LBPRGKRZSA-N- Molecular formula
- C18H23ClN4O2
- Average molar mass
- 362.9 g/mol
- Monoisotopic mass
- 362.1509537
Names & identifiers
- Preferred name
- Carbamic acid, (9-chloro-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)imidazo(4,5,1-jk)(1,4)benzodiazepin-2-yl)-, methyl ester, (S)-
- IUPAC
- methyl N-[(11S)-6-chloro-11-methyl-10-(3-methylbut-2-enyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-2-yl]carbamate
Names & synonyms
136722-79-7Carbamic acid, (9-chloro-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)imidazo(4,5,1-jk)(1,4)benzodiazepin-2-yl)-, methyl ester, (S)-Carbamic acid, [9-chloro-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)imidazo[4,5,1-jk][1,4]benzodiazepin-2-yl]-, methyl ester, (S)-DTXSID20159903Imidazo[4,5,1-jk][1,4]benzodiazepine, carbamic acid deriv.methyl N-[chloro-methyl-(3-methylbut-2-enyl)[?]yl]carbamateMethyl [(5S)-9-chloro-5-methyl-6-(3-methylbut-2-en-1-yl)-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1,4]benzodiazepin-2-yl]carbamate
Database identifiers
- CAS
136722-79-7- PubChem CID
- 453587
- DTXSID
DTXSID20159903- Nikkaji
- J449.398B
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 525
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Compound notes
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