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81797-27-5 | [5aR,(+)]-14aβ-(1,1-Dimethyl-2-propenyl)-5aβ,13aα,14,14a-tetrahydroindolo[3',2'
CAS No: 81797-27-5 Catalog No: AG00GCND MDL No:
Product Description
Catalog Number:
AG00GCND
Chemical Name:
[5aR,(+)]-14aβ-(1,1-Dimethyl-2-propenyl)-5aβ,13aα,14,14a-tetrahydroindolo[3',2'
CAS Number:
81797-27-5
Molecular Formula:
C23H23N3O2
Molecular Weight:
373.4476
IUPAC Name:
(2R,10S,12R)-10-(2-methylbut-3-en-2-yl)-1,3,14-triazapentacyclo[10.9.0.02,10.04,9.015,20]henicosa-4,6,8,15,17,19-hexaene-13,21-dione
InChI:
InChI=1S/C23H23N3O2/c1-4-22(2,3)23-13-18-19(27)24-16-11-7-5-9-14(16)20(28)26(18)21(23)25-17-12-8-6-10-15(17)23/h4-12,18,21,25H,1,13H2,2-3H3,(H,24,27)/t18-,21-,23+/m1/s1
InChI Key:
AVLMMDWEIUEKEK-AAIMPIBUSA-N
SMILES:
C=CC([C@]12C[C@H]3N([C@H]1Nc1c2cccc1)C(=O)c1c(NC3=O)cccc1)(C)C
UNII:
0V5DQ674AU
Properties
Complexity:
704
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
373.179g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
373.456g/mol
Monoisotopic Mass:
373.179g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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