methyl N-(5-butyl-1H-1,3-benzodiazol-2-yl)carbamate

methyl N-(5-butyl-1H-1,3-benzodiazol-2-yl)carbamate

CAS: 14255-87-9

Formula: C13H17N3O2

SMILES: CCCCC1=CC=C2NC(NC(=O)OC)=NC2=C1

IUPAC: methyl N-(5-butyl-1H-1,3-benzodiazol-2-yl)carbamate

InChI: InChI=1S/C13H17N3O2/c1-3-4-5-9-6-7-10-11(8-9)15-12(14-10)16-13(17)18-2/h6-8H,3-5H2,1-2H3,(H2,14,15,16,17)

Composition: C (63.14%), H (6.93%), N (16.99%), O (12.94%)

Molar Mass: 247.298

Atom Count: 35

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	247.132076799
Formal Charge	0
FSP3	0.38
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	YRWLZFXJFBZBEY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	69.77
Topological Polar Surface Area	67.01
Polarizability	27.5
Ring Count	2
Rotatable Bond Count	5

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