AC1LJZCT

10-[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one

Also Known As: Oprea1_784845|UPCMLD0ENAT0513-5080:001|10-[(2-{1-[(furan-2-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethyl)sulfanyl]-11-(prop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one|10-({2-[1-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}sulfanyl)-11-(prop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one|2-{2-[1-(2-furylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethylthio}-3-prop-2-enyl -3,5,6,7-tetrahydrocyclopenta[2,1-d]pyrimidino[4,5-b]thiophen-4-one|3-allyl-2-({2-[1-(2-furylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}thio)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one

Molecular Formula	C25H25N3O3S2
Molecular Weight	479.13373 g/mol
LogP	5.16734
Topological Polar Surface Area	70.03 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	8
Exact Mass	479.13373
Monoisotopic Mass	479.13373
Heavy Atoms	33
Complexity	1423.6947

Chemical Identifiers

CAS Number	374693-73-9
SMILES	CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)CSC3=NC4=C(C5=C(S4)CCC5)C(=O)N3CC=C