N,N-bis(2-hydroxyethyl)-2-{5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}acetamide

N,N-bis(2-hydroxyethyl)-2-{5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}acetamide

Formula: C15H17N5O3S

SMILES: OCCN(CCO)C(=O)CSC1=NC2=C(N=N1)C1=C(N2)C=CC=C1

IUPAC: N,N-bis(2-hydroxyethyl)-2-{5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}acetamide

InChI: InChI=1S/C15H17N5O3S/c21-7-5-20(6-8-22)12(23)9-24-15-17-14-13(18-19-15)10-3-1-2-4-11(10)16-14/h1-4,21-22H,5-9H2,(H,16,17,19)

Composition: C (51.86%), H (4.93%), N (20.16%), O (13.82%), S (9.23%)

Molar Mass: 347.39

Atom Count: 41

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	347.105210601
Formal Charge	0
FSP3	0.33
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
InChIKey	CAGHZTOXJDIXJR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	92.72
Topological Polar Surface Area	115.23
Polarizability	36.3
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C15H17N5O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00