AC1MF1LJ

2-[[5-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-morpholin-4-ylpropyl)acetamide

Also Known As: CBMicro_031470|ChemDiv1_004878|HMS600N16|CCG-4103|BIM-0031643.P001|AF-399/14606065|SR-01000444137-1|2-((5-(3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(3-morpholinopropyl)acetamide|F0786-0002|2-{[5-(3-{2,4-dioxo-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaen-3-yl}propyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(morpholin-4-yl)propyl]acetamide|2-({5-[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]-4-phenyl-4H-1,2,4-triazol-3-yl}thio)-N-[3-(4-morpholinyl)propyl]acetamide|2-[[5-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-morpholin-4-ylpropyl)acetamide|2-({5-[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[3-(4-morpholinyl)propyl]acetamide|2-({5-[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[3-(morpholin-4-yl)propyl]acetamide|2-{[5-(3-{2,4-DIOXO-3-AZATRICYCLO[7.3.1.0?,(1)(3)]TRIDECA-1(13),5,7,9,11-PENTAEN-3-YL}PROPYL)-4-PHENYL-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-[3-(MORPHOLIN-4-YL)PROPYL]ACETAMIDE

Molecular Formula	C32H34N6O4S
Molecular Weight	598.2362 g/mol
LogP	3.5799
Topological Polar Surface Area	109.66 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	8
Rotatable Bonds	12
Exact Mass	598.2362
Monoisotopic Mass	598.2362
Heavy Atoms	43
Complexity	1568.1624

Chemical Identifiers

CAS Number	315239-07-7
SMILES	C1COCCN1CCCNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O