(1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0?,¹?]heptadeca-6,8,10(17),15-tetraen-14-yl benzoate

(1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0?,¹?]heptadeca-6,8,10(17),15-tetraen-14-yl benzoate

CAS: 224169-27-1

Formula: C24H25NO4

SMILES: [H][C@]12C[C@@H](OC(=O)C3=CC=CC=C3)C=C[C@]11CCN(C)CC3=CC=C(OC)C(O2)=C13

IUPAC: (1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0?,¹?]heptadeca-6,8,10(17),15-tetraen-14-yl benzoate

InChI: InChI=1S/C24H25NO4/c1-25-13-12-24-11-10-18(28-23(26)16-6-4-3-5-7-16)14-20(24)29-22-19(27-2)9-8-17(15-25)21(22)24/h3-11,18,20H,12-15H2,1-2H3/t18-,20-,24-/m0/s1

Composition: C (73.64%), H (6.44%), N (3.58%), O (16.35%)

Molar Mass: 391.467

Atom Count: 54

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	3
Exact Mass	391.178358289
Formal Charge	0
FSP3	0.37
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	JKVNJTYHRABHIY-WXVUKLJWSA-N
Lipinski's Rule of Five	1
Molar Refractivity	112.13
Topological Polar Surface Area	48
Polarizability	43.2
Ring Count	5
Rotatable Bond Count	4

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