ChemDiv1_023568

2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)hexanoic acid

Also Known As: ChemDiv1_023568|Oprea1_791311|HMS653P06|2-(12,14-dioxo-11,12,14,15-tetrahydro-9H-9,10-[3,4]epipyrroloanthracen-13(10H)-yl)hexanoic acid|SR-01000459932-1|2-(12,14-dioxo-11,12,14,15-tetrahydro-9H-9,10-[3,4]epipyrroloanthracen-13(10H)-yl)hexanoicacid|2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)hexanoic acid|2-((9R,10S,11R,15S)-12,14-dioxo-9,10-dih|2-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)hexanoic acid (non-preferred name)|alpha-Butyl-1,3,3a,4,9,9a-hexahydro-1,3-dioxo-4,9[1',2']-benzeno-2H-benz[f]isoindole-2-acetic acid||A-Butyl-1,3,3a,4,9,9a-hexahydro-1,3-dioxo-4,9[1 inverted exclamation marka,2 inverted exclamation marka]-benzeno-2H-benz[f]isoindole-2-acetic acid|2-(16,18-DIOXO-17-AZAPENTACYCLO[6.6.5.0~2,7~.0~9,14~.0~15,19~]NONADECA-2,4,6,9,11,13-HEXAEN-17-YL)HEXANOIC ACID|2-{16,18-dioxo-17-azapentacyclo[6.6.5.0(2),?.0?,(1)?.0(1)?,(1)?]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl}hexanoic acid|2-{16,18-dioxo-17-azapentacyclo[6.6.5.0(2),?.0?,(1)?.0(1)?,(1)?]nonadeca-2,4,6,9,11,13-hexaen-17-yl}hexanoic acid

Molecular Formula	C24H23NO4
Molecular Weight	389.16272 g/mol
LogP	3.522
Topological Polar Surface Area	74.68 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	5
Exact Mass	389.16272
Monoisotopic Mass	389.16272
Heavy Atoms	29
Complexity	913.54565

Chemical Identifiers

CAS Number	475100-30-2
SMILES	CCCCC(C(=O)O)N1C(=O)C2C(C1=O)C3C4=CC=CC=C4C2C5=CC=CC=C35