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C21H25N3O4S | Cheminformatics
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(NZ)-N-[6-(dimorpholin-4-ylmethylidene)cyclohexa-2,4-dien-1-ylidene]benzenesulfonamide

Molecular Formula : C21H25N3O4S | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(NZ)-N-[6-(dimorpholin-4-ylmethylidene)cyclohexa-2,4-dien-1-ylidene]benzenesulfonamide is a drug-like molecule.

MolName : (NZ)-N-[6-(dimorpholin-4-ylmethylidene)cyclohexa-2,4-dien-1-ylidene]benzenesulfonamide

MolecularFormula : C21H25N3O4S

Smiles : O=S(c1ccccc1)(/N=C(/C=CC=C1)\C1=C(N1CCOCC1)N1CCOCC1)=O

InChI : InChI=1S/C21H25N3O4S/c25-29(26,18-6-2-1-3-7-18)22-20-9-5-4-8-19(20)21(23-10-14-27-15-11-23)24-12-16-28-17-13-24/h1-9H,10-17H2

InChIK : PLKYKGDYPDCPKY-UHFFFAOYSA-N

TotalMolweight : 415.513

Molweight : 415.513

MonoisotopicMass : 415.156577

CLogP : 1.6326

CLogS : -2.664

H Acceptors : 7

TotalSurfaceArea : 310.91

Relative PSA : 0.21611

PolarSurfaceArea : 79.82

Druglikeness : -4.2158

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : polar activated DB

Shape Index : 0.44828

Fragments : 1

Non HAtoms : 29

NonCHAtoms : 8

Electronegative Atoms : 8

Rotatable Bond : 3

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 11

Symmetricatoms : 11

BasicNitrogens : 1

StereoCon :

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1 - (NZ)-N-[6-(dimorpholin-4-ylmethylidene)cyclohexa-2,4-dien-1-ylidene]benzenesulfonamide
2 - (NZ)-N-[6-(dimorpholin-4-ylmethylidene)cyclohexa-2,4-dien-1-ylidene]benzenesulfonamide
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