(E)-N-[6-acetyl-3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(5-nitrothiophen-2-yl)prop-2-enamide

Formula:C23H18N4O4S3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[6-acetyl-3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(5-nitrothiophen-2-yl)prop-2-enamide is not a drug-like molecule.

MolName	(E)-N-[6-acetyl-3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(5-nitrothiophen-2-yl)prop-2-enamide
MolecularFormula	C23H18N4O4S3
Smiles	CC(N(CC1)Cc2c1c(-c1nc(cccc3)c3s1)c(NC(/C=C/c1ccc([N+]([O-])=O)s1)=O)s2)=O
InChI	InChI=1S/C23H18N4O4S3/c1-13(28)26-11-10-15-18(12-26)34-23(21(15)22-24-16-4-2-3-5-17(16)33-22)25-19(29)8-6-14-7-9-20(32-14)27(30)31/h2-9H,10-12H2,1H3,(H,25,29)
InChIK	PULJVBAONYPFPS-UHFFFAOYSA-N
TotalMolweight	510.618
Molweight	510.618
MonoisotopicMass	510.049016
CLogP	3.9347
CLogS	-5.984
H Acceptors	8
H Donors	1
TotalSurfaceArea	361.43
Relative PSA	0.3972
PolarSurfaceArea	192.84
Druglikeness	-0.10999
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.47059
Fragments	1
Non HAtoms	34
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	19
Sp3Atoms	5
Amides	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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1 - (E)-N-[6-acetyl-3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(5-nitrothiophen-2-yl)prop-2-enamide | 2 - (E)-N-[6-acetyl-3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(5-nitrothiophen-2-yl)prop-2-enamide

Request More Details | (E)-N-[6-acetyl-3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(5-nitrothiophen-2-yl)prop-2-enamide

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