CID 349901
Basic information
- CAS
1457-33-6- Standard SMILES
OCCN(CCO)CCN1c2ccc3ccccc3c2Sc2c1ccc1ccccc21- InChIKey
DUCLWCLMUKUMEW-UHFFFAOYSA-N- Molecular formula
- C26H26N2O2S
- Average molar mass
- 430.6 g/mol
- Monoisotopic mass
- 430.17149925
Names & identifiers
- Preferred name
- CID 349901
- IUPAC
- 2-[2-hydroxyethyl-[2-(2-thia-13-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaen-13-yl)ethyl]amino]ethanol
Names & synonyms
NSC4098101457-33-6DTXSID20325363NSC-4098102,2'-{[2-(7H-Dibenzo[c,h]phenothiazin-7-yl)ethyl]azanediyl}di(ethan-1-ol)2-[2-Hydroxyethyl-[2-(2-thia-13-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaen-13-yl)ethyl]amino]ethanol
Database identifiers
- CAS
1457-33-6- PubChem CID
- 349901
- DTXSID
DTXSID20325363
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 72.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 534
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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