5-(3-hydroxypropylamino)-4-(4-methoxyphenyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one
-
![5-(3-hydroxypropylamino)-4-(4-methoxyphenyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/e3619694760642d99edc73fe7ddee675.png "5-(3-hydroxypropylamino)-4-(4-methoxyphenyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one")
5-(3-hydroxypropylamino)-4-(4-methoxyphenyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one
structure -
-
CAS No:
898608-31-6
-
Formula:
C21H25N3O3S
-
Chemical Name:
5-(3-hydroxypropylamino)-4-(4-methoxyphenyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one
-
Synonyms:
ZINC2435041;STK576524;AKOS005500913;MCULE-8620636556;2-[(3-hydroxypropyl)amino]-3-(4-methoxyphenyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one;898608-31-6
-
CAS No:
5-(3-hydroxypropylamino)-4-(4-methoxyphenyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one Basic Attributes
399.5 g/mol
399.16166284 g/mol
Computed Properties
Molecular Weight:399.5
XLogP3:4.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:399.16166284
Monoisotopic Mass:399.16166284
Topological Polar Surface Area:102
Heavy Atom Count:28
Complexity:579
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Request for Quotation