Capsazepine
Properties
- Molecular formula
- C19H21ClN2O2S
- Molar mass
- 376.90 g/mol
- Exact mass
- 376.1012 Da
- logP
- 4.03Crippen estimate
- Polar surface area
- 56.1 Ų
- H-bond donors / acceptors
- 3 / 3
- Rotatable bonds
- 3
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library
Identifiers
CAS number
138977-28-3SMILES
Oc1cc2c(cc1O)CN(C(S)=NCCc1ccc(Cl)cc1)CCC2InChIKey
DRCMAZOSEIMCHM-UHFFFAOYSA-NInChI
InChI=1S/C19H21ClN2O2S/c20-16-5-3-13(4-6-16)7-8-21-19(25)22-9-1-2-14-10-17(23)18(24)11-15(14)12-22/h3-6,10-11,23-24H,1-2,7-9,12H2,(H,21,25)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
2 names
- 2H-2-Benzazepine-2-carbothioamide, N-[2-(4-chlorophenyl)ethyl]-1,3,4,5-tetrahydro-7,8-dihydroxy-
- N-[2-(4-Chlorophenyl)ethyl]-1,3,4,5-tetrahydro-7,8-dihydroxy-2H-2-benzazepine-2-carbothioamide