2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-(4-methoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one
-
![2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-(4-methoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/35ccdadbecf341ec9878b0e1b96ce197.png "2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-(4-methoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one")
2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-(4-methoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one
structure -
-
CAS No:
536707-20-7
-
Formula:
C25H26N4O3S
-
Chemical Name:
2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-(4-methoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one
-
Synonyms:
536707-20-7;2-((2-(azepan-1-yl)-2-oxoethyl)thio)-3-(4-methoxyphenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one;2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-(4-methoxyphenyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one;Oprea1_153611;ZINC2720757;AKOS002052965;MCULE-1967492041;2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-(4-methoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one;F0580-0473;2-[(2-azepan-1-yl-2-oxoethyl)thio]-3-(4-methoxyphenyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
-
CAS No:
2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-(4-methoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one Basic Attributes
462.6 g/mol
462.17256188 g/mol
Computed Properties
Molecular Weight:462.6
XLogP3:4.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:462.17256188
Monoisotopic Mass:462.17256188
Topological Polar Surface Area:103
Heavy Atom Count:33
Complexity:746
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Request for Quotation