 Home > Encyclopedia > N-[[(4,12,12-trimethyl-3-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)amino]carbamothioyl]benzamide

N-[[(4,12,12-trimethyl-3-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)amino]carbamothioyl]benzamide

N-[[(4,12,12-trimethyl-3-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)amino]carbamothioyl]benzamide structure

CAS No:
303177-31-3
Formula:
C20H21N5O3S2
Chemical Name:
N-[[(4,12,12-trimethyl-3-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)amino]carbamothioyl]benzamide
Synonyms:
ZINC2217340;STL324232;AKOS022111766;MCULE-8380536357;303177-31-3;N-{[2-(3,6,6-trimethyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)hydrazinyl]carbonothioyl}benzamide

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N-[[(4,12,12-trimethyl-3-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)amino]carbamothioyl]benzamide Basic Attributes

Molecular Weight：

443.5 g/mol

Exact Mass：

443.10858190 g/mol

Characteristics

PSA：

155 Å²

Computed Properties

Molecular Weight:443.5
XLogP3:3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:443.10858190
Monoisotopic Mass:443.10858190
Topological Polar Surface Area:155
Heavy Atom Count:30
Complexity:753
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: ethyl acetoacetate; flunarizine; cefepine; nitrogen trioxide; vanadium nitride; pbso4

Guide of N-[[(4,12,12-trimethyl-3-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)amino]carbamothioyl]benzamide

Basic Attributes
Characteristics
Computed Properties

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