2-methylpropyl 3-[2-(4-butylanilino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate

Formula:C24H29N3O4S Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-methylpropyl 3-[2-(4-butylanilino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate is a drug-like molecule.

MolName	2-methylpropyl 3-[2-(4-butylanilino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
MolecularFormula	C24H29N3O4S
Smiles	CCCCc(cc1)ccc1NC(CN(C=Nc1c2c(C)c(C(OCC(C)C)=O)s1)C2=O)=O
InChI	InChI=1S/C24H29N3O4S/c1-5-6-7-17-8-10-18(11-9-17)26-19(28)12-27-14-25-22-20(23(27)29)16(4)21(32-22)24(30)31-13-15(2)3/h8-11,14-15H,5-7,12-13H2,1-4H3,(H,26,28)
InChIK	KWJUERBWJMXDNT-UHFFFAOYSA-N
TotalMolweight	455.577
Molweight	455.577
MonoisotopicMass	455.187877
CLogP	4.6667
CLogS	-5.534
H Acceptors	7
H Donors	1
TotalSurfaceArea	355.57
Relative PSA	0.26999
PolarSurfaceArea	116.31
Druglikeness	0.905
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.65625
Fragments	1
Non HAtoms	32
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	10
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	11
Symmetricatoms	3
Amides	2
StereoCon

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