aminotadalafil

aminotadalafil

CAS: 385769-84-6

Formula: C21H18N4O4

SMILES: [H][C@]12CC3=C(NC4=CC=CC=C34)[C@H](N1C(=O)CN(N)C2=O)C1=CC2=C(OCO2)C=C1

IUPAC: (2R,8R)-6-amino-2-(2H-1,3-benzodioxol-5-yl)-3,6,17-triazatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁶]heptadeca-1(10),11,13,15-tetraene-4,7-dione

InChI: InChI=1S/C21H18N4O4/c22-24-9-18(26)25-15(21(24)27)8-13-12-3-1-2-4-14(12)23-19(13)20(25)11-5-6-16-17(7-11)29-10-28-16/h1-7,15,20,23H,8-10,22H2/t15-,20-/m1/s1

Composition: C (64.61%), H (4.65%), N (14.35%), O (16.39%)

Molar Mass: 390.399

Atom Count: 47

Heavy Atom Count: 29

Properties

Properties

Common Names	aminotadalafil
Aromatic Ring Count	3
Asymmetric Atom Count	2
Exact Mass	390.132805076
Formal Charge	0
FSP3	0.24
Hetero Ring Count	4
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	VUKJGAVIWMPOOJ-FOIQADDNSA-N
Lipinski's Rule of Five	1
Molar Refractivity	103.67
Topological Polar Surface Area	100.89
Polarizability	41.02
Ring Count	6
Rotatable Bond Count	1

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Purity	LeadTime	CAS		UnitPrice
98%	<14 Days	385769-84-6		Quote Only