Basic information
- Standard SMILES
CC(C)(C)OC(=O)C1Cn2ccc3c(CC(N)=O)ccc(c32)CN1- InChIKey
CXCTXBJJNXEMSU-UHFFFAOYSA-N- Molecular formula
- C18H23N3O3
- Average molar mass
- 329.4 g/mol
Names & identifiers
- Preferred name
- 7-Carbamoylmethyl-3,4-dihydro-1H-[1,4]diazepino[6,7,1-hi]indole-2-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 5-(2-amino-2-oxoethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-11-carboxylate
Names & synonyms
SCHEMBL6336840CXCTXBJJNXEMSU-UHFFFAOYSA-N7-Carbamoylmethyl-3,4-dihydro-1H-[1,4]diaze-pino[6,7,1-hi]indole-2-carboxylic acid tert-butyl ester7-Carbamoylmethyl-3,4-dihydro-1H-[1,4]diazepino[6,7,1-hi]indole-2-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 69745709
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 86.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 502
Related reactions
4 records
Compound notes
Loading…