Carbamic acid, (8-(4-morpholinyl)octyl)-, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethylpyrrolo(2,3-b)indol-5-yl ester, (3aS-cis)-
Basic information
- CAS
154619-56-4- Standard SMILES
CN1CC[C@@]2(C)c3cc(OC(=O)NCCCCCCCCN4CCOCC4)ccc3N(C)[C@@H]12- InChIKey
PLDHPJSOABLSHM-RSXGOPAZSA-N- Molecular formula
- C26H42N4O3
- Average molar mass
- 458.6 g/mol
- Monoisotopic mass
- 458.32569121
Names & identifiers
- Preferred name
- Carbamic acid, (8-(4-morpholinyl)octyl)-, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethylpyrrolo(2,3-b)indol-5-yl ester, (3aS-cis)-
- IUPAC
- [(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-(8-morpholin-4-yloctyl)carbamate
Names & synonyms
154619-56-4Carbamic acid, (8-(4-morpholinyl)octyl)-, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethylpyrrolo(2,3-b)indol-5-yl ester, (3aS-cis)-RefChem:1080842MF 217MorphlinyloctylcarbamoyleserolineCHEMBL65018DTXSID00935025BDBM50285182(3aS,8aR)-1,3a,8-Trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl hydrogen [8-(morpholin-4-yl)octyl]carbonimidate(8-Morpholin-4-yl-octyl)-carbamic acid (3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro-pyrrolo[2,3-b]indol-5-yl ester1,3a,8-Trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl hydrogen [8-(morpholin-4-yl)octyl]carbonimidate
Database identifiers
- CAS
154619-56-4- PubChem CID
- 3074014
- DTXSID
DTXSID00935025- ChEMBL
CHEMBL65018- Nikkaji
- J913.071C
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 57.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 629
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