5-ethoxy-2-{[2-(morpholin-4-yl)ethyl]sulfanyl}-1H-1,3-benzodiazole

5-ethoxy-2-{[2-(morpholin-4-yl)ethyl]sulfanyl}-1H-1,3-benzodiazole

CAS: 173352-21-1

Formula: C15H21N3O2S

SMILES: CCOC1=CC=C2NC(SCCN3CCOCC3)=NC2=C1

IUPAC: 5-ethoxy-2-{[2-(morpholin-4-yl)ethyl]sulfanyl}-1H-1,3-benzodiazole

InChI: InChI=1S/C15H21N3O2S/c1-2-20-12-3-4-13-14(11-12)17-15(16-13)21-10-7-18-5-8-19-9-6-18/h3-4,11H,2,5-10H2,1H3,(H,16,17)

Composition: C (58.61%), H (6.89%), N (13.67%), O (10.41%), S (10.43%)

Molar Mass: 307.41

Atom Count: 42

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	307.135448102
Formal Charge	0
FSP3	0.53
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	WWNUCVSRRUDYPP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	85.71
Topological Polar Surface Area	50.38
Polarizability	34.61
Ring Count	3
Rotatable Bond Count	6

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