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115994-31-5

115994-31-5 | Benz[cd]indole-6-carboxamide, 4-(dipropylamino)-1,3,4,5-tetrahydro-, (4R)-

CAS No: 115994-31-5 Catalog No: AG000HE5 MDL No:

Product Description

Catalog Number:
AG000HE5
Chemical Name:
Benz[cd]indole-6-carboxamide, 4-(dipropylamino)-1,3,4,5-tetrahydro-, (4R)-
CAS Number:
115994-31-5
Molecular Formula:
C18H25N3O
Molecular Weight:
299.4106
IUPAC Name:
(4R)-4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indole-6-carboxamide
InChI:
InChI=1S/C18H25N3O/c1-3-7-21(8-4-2)13-9-12-11-20-16-6-5-14(18(19)22)15(10-13)17(12)16/h5-6,11,13,20H,3-4,7-10H2,1-2H3,(H2,19,22)/t13-/m0/s1
InChI Key:
YTOJFUORFUYGSV-ZDUSSCGKSA-N
SMILES:
CCCN([C@H]1Cc2c[nH]c3c2c(C1)c(cc3)C(=O)N)CCC

Properties

Complexity:
394  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
299.2g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
299.418g/mol
Monoisotopic Mass:
299.2g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

Literature

Title Journal
Perinatal exposure to 5-methoxytryptamine, behavioural-stress reactivity and functional response of 5-HT1A receptors in the adolescent rat. Behavioural brain research 20080110

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