ethyl 15-ethyl-1,11-diazapentacyclo[9.6.2.0²,?.0?,¹?.0¹?,¹?]nonadeca-2,4,6,8(18),16-pentaene-17-carboxylate

ethyl 15-ethyl-1,11-diazapentacyclo[9.6.2.0²,?.0?,¹?.0¹?,¹?]nonadeca-2,4,6,8(18),16-pentaene-17-carboxylate

CAS: 42971-09-5

Formula: C22H26N2O2

SMILES: CCOC(=O)C1=CC2(CC)CCCN3CCC4=C(C23)N1C1=CC=CC=C41

IUPAC: ethyl 15-ethyl-1,11-diazapentacyclo[9.6.2.0²,?.0?,¹?.0¹?,¹?]nonadeca-2,4,6,8(18),16-pentaene-17-carboxylate

InChI: InChI=1/C22H26N2O2/c1-3-22-11-7-12-23-13-10-16-15-8-5-6-9-17(15)24(19(16)20(22)23)18(14-22)21(25)26-4-2/h5-6,8-9,14,20H,3-4,7,10-13H2,1-2H3

Composition: C (75.40%), H (7.48%), N (7.99%), O (9.13%)

Molar Mass: 350.462

Atom Count: 52

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	350.199428085
Formal Charge	0
FSP3	0.5
Hetero Ring Count	4
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	DDNCQMVWWZOMLN-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	104.24
Topological Polar Surface Area	34.47
Polarizability	41.12
Ring Count	5
Rotatable Bond Count	4

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