7,7-diethyl-5-(2-methylpropyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;7,7-diethyl-5-(2-phenoxyethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2-morpholin-4-ylethyl)-7,7-dipropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5,5,16-trimethyl-7,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one;5,7,7-tripropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaene;5,7,7-tripropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one

C149H183N25O7 — CID 158054169

IUPAC7,7-diethyl-5-(2-methylpropyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;7,7-diethyl-5-(2-phenoxyethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2-morpholin-4-ylethyl)-7,7-dipropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5,5,16-trimethyl-7,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one;5,7,7-tripropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaene;5,7,7-tripropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one
SMILESCCC1(CC)C(=O)N(CC(C)C)c2cc3c4c([nH]c3cc21)-c1[nH]ncc1CCC4.CCC1(CC)C(=O)N(CCOc2ccccc2)c2cc3c4c([nH]c3cc21)-c1[nH]ncc1CCC4.CCCC1(CCC)C(=O)N(CCN2CCOCC2)c2cc3c4c([nH]c3cc21)-c1[nH]ncc1CCC4.CCCN1C(=O)C(CCC)(CCC)c2cc3[nH]c4c(c3cc21)CCCc1cn[nH]c1-4.CCCN1CC(CCC)(CCC)c2cc3[nH]c4c(c3cc21)CCCc1cn[nH]c1-4.Cc1[nH]nc2c1CCCc1c-2[nH]c2cc3c(cc12)C(C)(C)C(=O)N3
InChIInChI=1S/C28H37N5O2.C28H30N4O2.C25H32N4O.C25H34N4.C24H30N4O.C19H20N4O/c1-3-8-28(9-4-2)22-17-23-21(20-7-5-6-19-18-29-31-25(19)26(20)30-23)16-24(22)33(27(28)34)11-10-32-12-14-35-15-13-32;1-3-28(4-2)22-16-23-21(20-12-8-9-18-17-29-31-25(18)26(20)30-23)15-24(22)32(27(28)33)13-14-34-19-10-6-5-7-11-19;1-4-10-25(11-5-2)19-14-20-18(13-21(19)29(12-6-3)24(25)30)17-9-7-8-16-15-26-28-22(16)23(17)27-20;1-4-10-25(11-5-2)16-29(12-6-3)22-13-19-18-9-7-8-17-15-26-28-23(17)24(18)27-21(19)14-20(22)25;1-5-24(6-2)18-11-19-17(10-20(18)28(23(24)29)13-14(3)4)16-9-7-8-15-12-25-27-21(15)22(16)26-19;1-9-10-5-4-6-11-12-7-13-15(21-18(24)19(13,2)3)8-14(12)20-16(11)17(10)23-22-9/h16-18,30H,3-15H2,1-2H3,(H,29,31);5-7,10-11,15-17,30H,3-4,8-9,12-14H2,1-2H3,(H,29,31);13-15,27H,4-12H2,1-3H3,(H,26,28);13-15,27H,4-12,16H2,1-3H3,(H,26,28);10-12,14,26H,5-9,13H2,1-4H3,(H,25,27);7-8,20H,4-6H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyFJVMRQUNFOVSHX-UHFFFAOYSA-N
MW2436.27 g/mol
LogP30.54
Rot. Bonds29

About 7,7-diethyl-5-(2-methylpropyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;7,7-diethyl-5-(2-phenoxyethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2-morpholin-4-ylethyl)-7,7-dipropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5,5,16-trimethyl-7,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one;5,7,7-tripropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaene;5,7,7-tripropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one

7,7-diethyl-5-(2-methylpropyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;7,7-diethyl-5-(2-phenoxyethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2-morpholin-4-ylethyl)-7,7-dipropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5,5,16-trimethyl-7,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one;5,7,7-tripropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaene;5,7,7-tripropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one (PubChem CID 158054169) has the molecular formula C149H183N25O7 and a molecular weight of 2436.27 g/mol. Its IUPAC name is 7,7-diethyl-5-(2-methylpropyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;7,7-diethyl-5-(2-phenoxyethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2-morpholin-4-ylethyl)-7,7-dipropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5,5,16-trimethyl-7,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one;5,7,7-tripropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaene;5,7,7-tripropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one.

Molecular Properties

Compound Name7,7-diethyl-5-(2-methylpropyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;7,7-diethyl-5-(2-phenoxyethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2-morpholin-4-ylethyl)-7,7-dipropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5,5,16-trimethyl-7,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one;5,7,7-tripropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaene;5,7,7-tripropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one
PubChem CID158054169
Molecular FormulaC149H183N25O7
Molecular Weight2436.27 g/mol
Exact Mass2434.47
IUPAC Name7,7-diethyl-5-(2-methylpropyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;7,7-diethyl-5-(2-phenoxyethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2-morpholin-4-ylethyl)-7,7-dipropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5,5,16-trimethyl-7,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one;5,7,7-tripropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaene;5,7,7-tripropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one
SMILESCCC1(CC)C(=O)N(CC(C)C)c2cc3c4c([nH]c3cc21)-c1[nH]ncc1CCC4.CCC1(CC)C(=O)N(CCOc2ccccc2)c2cc3c4c([nH]c3cc21)-c1[nH]ncc1CCC4.CCCC1(CCC)C(=O)N(CCN2CCOCC2)c2cc3c4c([nH]c3cc21)-c1[nH]ncc1CCC4.CCCN1C(=O)C(CCC)(CCC)c2cc3[nH]c4c(c3cc21)CCCc1cn[nH]c1-4.CCCN1CC(CCC)(CCC)c2cc3[nH]c4c(c3cc21)CCCc1cn[nH]c1-4.Cc1[nH]nc2c1CCCc1c-2[nH]c2cc3c(cc12)C(C)(C)C(=O)N3
InChIInChI=1S/C28H37N5O2.C28H30N4O2.C25H32N4O.C25H34N4.C24H30N4O.C19H20N4O/c1-3-8-28(9-4-2)22-17-23-21(20-7-5-6-19-18-29-31-25(19)26(20)30-23)16-24(22)33(27(28)34)11-10-32-12-14-35-15-13-32;1-3-28(4-2)22-16-23-21(20-12-8-9-18-17-29-31-25(18)26(20)30-23)15-24(22)32(27(28)33)13-14-34-19-10-6-5-7-11-19;1-4-10-25(11-5-2)19-14-20-18(13-21(19)29(12-6-3)24(25)30)17-9-7-8-16-15-26-28-22(16)23(17)27-20;1-4-10-25(11-5-2)16-29(12-6-3)22-13-19-18-9-7-8-17-15-26-28-23(17)24(18)27-21(19)14-20(22)25;1-5-24(6-2)18-11-19-17(10-20(18)28(23(24)29)13-14(3)4)16-9-7-8-15-12-25-27-21(15)22(16)26-19;1-9-10-5-4-6-11-12-7-13-15(21-18(24)19(13,2)3)8-14(12)20-16(11)17(10)23-22-9/h16-18,30H,3-15H2,1-2H3,(H,29,31);5-7,10-11,15-17,30H,3-4,8-9,12-14H2,1-2H3,(H,29,31);13-15,27H,4-12H2,1-3H3,(H,26,28);13-15,27H,4-12,16H2,1-3H3,(H,26,28);10-12,14,26H,5-9,13H2,1-4H3,(H,25,27);7-8,20H,4-6H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyFJVMRQUNFOVSHX-UHFFFAOYSA-N
XLogP30.54
TPSA402.10 Ų
H-Bond Donors13
H-Bond Acceptors15
Rotatable Bonds29
Heavy Atoms181
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002436.27
LogP ≤ 530.54
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 7,7-diethyl-5-(2-methylpropyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;7,7-diethyl-5-(2-phenoxyethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2-morpholin-4-ylethyl)-7,7-dipropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5,5,16-trimethyl-7,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one;5,7,7-tripropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaene;5,7,7-tripropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7,7-diethyl-5-(2-methylpropyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;7,7-diethyl-5-(2-phenoxyethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2-morpholin-4-ylethyl)-7,7-dipropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5,5,16-trimethyl-7,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one;5,7,7-tripropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaene;5,7,7-tripropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one?
The IUPAC name of 7,7-diethyl-5-(2-methylpropyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;7,7-diethyl-5-(2-phenoxyethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2-morpholin-4-ylethyl)-7,7-dipropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5,5,16-trimethyl-7,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one;5,7,7-tripropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaene;5,7,7-tripropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one (CID 158054169) is 7,7-diethyl-5-(2-methylpropyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;7,7-diethyl-5-(2-phenoxyethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2-morpholin-4-ylethyl)-7,7-dipropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5,5,16-trimethyl-7,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one;5,7,7-tripropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaene;5,7,7-tripropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one.
What is the SMILES notation for 7,7-diethyl-5-(2-methylpropyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;7,7-diethyl-5-(2-phenoxyethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2-morpholin-4-ylethyl)-7,7-dipropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5,5,16-trimethyl-7,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one;5,7,7-tripropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaene;5,7,7-tripropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one?
The canonical SMILES for 7,7-diethyl-5-(2-methylpropyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;7,7-diethyl-5-(2-phenoxyethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2-morpholin-4-ylethyl)-7,7-dipropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5,5,16-trimethyl-7,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one;5,7,7-tripropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaene;5,7,7-tripropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one is CCC1(CC)C(=O)N(CC(C)C)c2cc3c4c([nH]c3cc21)-c1[nH]ncc1CCC4.CCC1(CC)C(=O)N(CCOc2ccccc2)c2cc3c4c([nH]c3cc21)-c1[nH]ncc1CCC4.CCCC1(CCC)C(=O)N(CCN2CCOCC2)c2cc3c4c([nH]c3cc21)-c1[nH]ncc1CCC4.CCCN1C(=O)C(CCC)(CCC)c2cc3[nH]c4c(c3cc21)CCCc1cn[nH]c1-4.CCCN1CC(CCC)(CCC)c2cc3[nH]c4c(c3cc21)CCCc1cn[nH]c1-4.Cc1[nH]nc2c1CCCc1c-2[nH]c2cc3c(cc12)C(C)(C)C(=O)N3.
What is the InChIKey of 7,7-diethyl-5-(2-methylpropyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;7,7-diethyl-5-(2-phenoxyethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2-morpholin-4-ylethyl)-7,7-dipropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5,5,16-trimethyl-7,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one;5,7,7-tripropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaene;5,7,7-tripropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one?
The InChIKey is FJVMRQUNFOVSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N5O2.C28H30N4O2.C25H32N4O.C25H34N4.C24H30N4O.C19H20N4O/c1-3-8-28(9-4-2)22-17-23-21(20-7-5-6-19-18-29-31-25(19)26(20)30-23)16-24(22)33(27(28)34)11-10-32-12-14-35-15-13-32;1-3-28(4-2)22-16-23-21(20-12-8-9-18-17-29-31-25(18)26(20)30-23)15-24(22)32(27(28)33)13-14-34-19-10-6-5-7-11-19;1-4-10-25(11-5-2)19-14-20-18(13-21(19)29(12-6-3)24(25)30)17-9-7-8-16-15-26-28-22(16)23(17)27-20;1-4-10-25(11-5-2)16-29(12-6-3)22-13-19-18-9-7-8-17-15-26-28-23(17)24(18)27-21(19)14-20(22)25;1-5-24(6-2)18-11-19-17(10-20(18)28(23(24)29)13-14(3)4)16-9-7-8-15-12-25-27-21(15)22(16)26-19;1-9-10-5-4-6-11-12-7-13-15(21-18(24)19(13,2)3)8-14(12)20-16(11)17(10)23-22-9/h16-18,30H,3-15H2,1-2H3,(H,29,31);5-7,10-11,15-17,30H,3-4,8-9,12-14H2,1-2H3,(H,29,31);13-15,27H,4-12H2,1-3H3,(H,26,28);13-15,27H,4-12,16H2,1-3H3,(H,26,28);10-12,14,26H,5-9,13H2,1-4H3,(H,25,27);7-8,20H,4-6H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 7,7-diethyl-5-(2-methylpropyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;7,7-diethyl-5-(2-phenoxyethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2-morpholin-4-ylethyl)-7,7-dipropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5,5,16-trimethyl-7,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one;5,7,7-tripropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaene;5,7,7-tripropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one?
7,7-diethyl-5-(2-methylpropyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;7,7-diethyl-5-(2-phenoxyethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2-morpholin-4-ylethyl)-7,7-dipropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5,5,16-trimethyl-7,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one;5,7,7-tripropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaene;5,7,7-tripropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one has a molecular weight of 2436.27 g/mol, XLogP of 30.54, 29 rotatable bonds, 13 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-diethyl-5-(2-methylpropyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;7,7-diethyl-5-(2-phenoxyethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2-morpholin-4-ylethyl)-7,7-dipropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5,5,16-trimethyl-7,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one;5,7,7-tripropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaene;5,7,7-tripropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one is sourced from PubChem (CID 158054169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).