Tert-butyl 4-[2-(6,13-dioxo-17-oxa-3-thia-7,10,11,20,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaen-10-yl)ethyl]piperazine-1-carboxylate;11-[2-(4-methylpiperazin-1-yl)ethyl]-17,20-dioxa-3-thia-7,10,11,22,26-pentazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8(12),9,21,23-heptaene-6,13-dione;10-[2-(4-methylpiperazin-1-yl)ethyl]-17-oxa-3-thia-7,10,11,20,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaene-6,13-dione;11-[2-(4-methylpiperazin-1-yl)ethyl]-17-oxa-3-thia-7,10,11,20,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8(12),9,21,23-heptaene-6,13-dione;10-(2-piperazin-1-ylethyl)-17-oxa-3-thia-7,10,11,20,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaene-6,13-dione

C₁₂₈H₁₆₃N₃₉O₁₈S₅ — CID 158414863

About Tert-butyl 4-[2-(6,13-dioxo-17-oxa-3-thia-7,10,11,20,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaen-10-yl)ethyl]piperazine-1-carboxylate;11-[2-(4-methylpiperazin-1-yl)ethyl]-17,20-dioxa-3-thia-7,10,11,22,26-pentazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8(12),9,21,23-heptaene-6,13-dione;10-[2-(4-methylpiperazin-1-yl)ethyl]-17-oxa-3-thia-7,10,11,20,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaene-6,13-dione;11-[2-(4-methylpiperazin-1-yl)ethyl]-17-oxa-3-thia-7,10,11,20,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8(12),9,21,23-heptaene-6,13-dione;10-(2-piperazin-1-ylethyl)-17-oxa-3-thia-7,10,11,20,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaene-6,13-dione

Tert-butyl 4-[2-(6,13-dioxo-17-oxa-3-thia-7,10,11,20,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaen-10-yl)ethyl]piperazine-1-carboxylate;11-[2-(4-methylpiperazin-1-yl)ethyl]-17,20-dioxa-3-thia-7,10,11,22,26-pentazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8(12),9,21,23-heptaene-6,13-dione;10-[2-(4-methylpiperazin-1-yl)ethyl]-17-oxa-3-thia-7,10,11,20,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaene-6,13-dione;11-[2-(4-methylpiperazin-1-yl)ethyl]-17-oxa-3-thia-7,10,11,20,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8(12),9,21,23-heptaene-6,13-dione;10-(2-piperazin-1-ylethyl)-17-oxa-3-thia-7,10,11,20,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaene-6,13-dione (PubChem CID 158414863) has the molecular formula C₁₂₈H₁₆₃N₃₉O₁₈S₅ and a molecular weight of 2696.30 g/mol. Its IUPAC name is tert-butyl 4-[2-(6,13-dioxo-17-oxa-3-thia-7,10,11,20,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaen-10-yl)ethyl]piperazine-1-carboxylate;11-[2-(4-methylpiperazin-1-yl)ethyl]-17,20-dioxa-3-thia-7,10,11,22,26-pentazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8(12),9,21,23-heptaene-6,13-dione;10-[2-(4-methylpiperazin-1-yl)ethyl]-17-oxa-3-thia-7,10,11,20,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaene-6,13-dione;11-[2-(4-methylpiperazin-1-yl)ethyl]-17-oxa-3-thia-7,10,11,20,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8(12),9,21,23-heptaene-6,13-dione;10-(2-piperazin-1-ylethyl)-17-oxa-3-thia-7,10,11,20,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaene-6,13-dione.

Molecular Properties

• Compound Name: Tert-butyl 4-[2-(6,13-dioxo-17-oxa-3-thia-7,10,11,20,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaen-10-yl)ethyl]piperazine-1-carboxylate;11-[2-(4-methylpiperazin-1-yl)ethyl]-17,20-dioxa-3-thia-7,10,11,22,26-pentazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8(12),9,21,23-heptaene-6,13-dione;10-[2-(4-methylpiperazin-1-yl)ethyl]-17-oxa-3-thia-7,10,11,20,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaene-6,13-dione;11-[2-(4-methylpiperazin-1-yl)ethyl]-17-oxa-3-thia-7,10,11,20,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8(12),9,21,23-heptaene-6,13-dione;10-(2-piperazin-1-ylethyl)-17-oxa-3-thia-7,10,11,20,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaene-6,13-dione
• PubChem CID: 158414863
• Molecular Formula: C₁₂₈H₁₆₃N₃₉O₁₈S₅
• Molecular Weight: 2696.30 g/mol
• Exact Mass: 2694.16
• IUPAC Name: tert-butyl 4-[2-(6,13-dioxo-17-oxa-3-thia-7,10,11,20,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaen-10-yl)ethyl]piperazine-1-carboxylate;11-[2-(4-methylpiperazin-1-yl)ethyl]-17,20-dioxa-3-thia-7,10,11,22,26-pentazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8(12),9,21,23-heptaene-6,13-dione;10-[2-(4-methylpiperazin-1-yl)ethyl]-17-oxa-3-thia-7,10,11,20,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaene-6,13-dione;11-[2-(4-methylpiperazin-1-yl)ethyl]-17-oxa-3-thia-7,10,11,20,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8(12),9,21,23-heptaene-6,13-dione;10-(2-piperazin-1-ylethyl)-17-oxa-3-thia-7,10,11,20,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaene-6,13-dione
• SMILES: CC(C)(C)OC(=O)N1CCN(CCn2cc3c(n2)C(=O)CCCOCCNc2cc(ccn2)-c2nc(cs2)C(=O)N3)CC1.CN1CCN(CCn2cc3c(n2)C(=O)CCCOCCNc2cc(ccn2)-c2nc(cs2)C(=O)N3)CC1.CN1CCN(CCn2ncc3c2C(=O)CCCOCCNc2cc(ccn2)-c2nc(cs2)C(=O)N3)CC1.CN1CCN(CCn2ncc3c2C(=O)CCCOCCOc2cc(ccn2)-c2nc(cs2)C(=O)N3)CC1.O=C1Nc2cn(CCN3CCNCC3)nc2C(=O)CCCOCCNc2cc(ccn2)-c2nc1cs2
• InChI: InChI=1S/C29H38N8O5S.2C25H32N8O3S.C25H31N7O4S.C24H30N8O3S/c1-29(2,3)42-28(40)36-12-9-35(10-13-36)11-14-37-18-21-25(34-37)23(38)5-4-15-41-16-8-31-24-17-20(6-7-30-24)27-33-22(19-43-27)26(39)32-21;1-31-7-9-32(10-8-31)11-12-33-16-19-23(30-33)21(34)3-2-13-36-14-6-27-22-15-18(4-5-26-22)25-29-20(17-37-25)24(35)28-19;1-31-7-9-32(10-8-31)11-12-33-23-19(16-28-33)29-24(35)20-17-37-25(30-20)18-4-5-26-22(15-18)27-6-14-36-13-2-3-21(23)34;1-30-6-8-31(9-7-30)10-11-32-23-19(16-27-32)28-24(34)20-17-37-25(29-20)18-4-5-26-22(15-18)36-14-13-35-12-2-3-21(23)33;33-20-2-1-12-35-13-7-27-21-14-17(3-4-26-21)24-29-19(16-36-24)23(34)28-18-15-32(30-22(18)20)11-10-31-8-5-25-6-9-31/h6-7,17-19H,4-5,8-16H2,1-3H3,(H,30,31)(H,32,39);4-5,15-17H,2-3,6-14H2,1H3,(H,26,27)(H,28,35);4-5,15-17H,2-3,6-14H2,1H3,(H,26,27)(H,29,35);4-5,15-17H,2-3,6-14H2,1H3,(H,28,34);3-4,14-16,25H,1-2,5-13H2,(H,26,27)(H,28,34)
• InChIKey: GZTLDOJPZJGFSE-UHFFFAOYSA-N
• XLogP: 12.46
• TPSA: 619.84 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 56
• Rotatable Bonds: 15
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2696.30
LogP ≤ 5	12.46
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	56

Frequently Asked Questions

What is the IUPAC name of Tert-butyl 4-[2-(6,13-dioxo-17-oxa-3-thia-7,10,11,20,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaen-10-yl)ethyl]piperazine-1-carboxylate;11-[2-(4-methylpiperazin-1-yl)ethyl]-17,20-dioxa-3-thia-7,10,11,22,26-pentazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8(12),9,21,23-heptaene-6,13-dione;10-[2-(4-methylpiperazin-1-yl)ethyl]-17-oxa-3-thia-7,10,11,20,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaene-6,13-dione;11-[2-(4-methylpiperazin-1-yl)ethyl]-17-oxa-3-thia-7,10,11,20,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8(12),9,21,23-heptaene-6,13-dione;10-(2-piperazin-1-ylethyl)-17-oxa-3-thia-7,10,11,20,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaene-6,13-dione?

The IUPAC name of Tert-butyl 4-[2-(6,13-dioxo-17-oxa-3-thia-7,10,11,20,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaen-10-yl)ethyl]piperazine-1-carboxylate;11-[2-(4-methylpiperazin-1-yl)ethyl]-17,20-dioxa-3-thia-7,10,11,22,26-pentazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8(12),9,21,23-heptaene-6,13-dione;10-[2-(4-methylpiperazin-1-yl)ethyl]-17-oxa-3-thia-7,10,11,20,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaene-6,13-dione;11-[2-(4-methylpiperazin-1-yl)ethyl]-17-oxa-3-thia-7,10,11,20,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8(12),9,21,23-heptaene-6,13-dione;10-(2-piperazin-1-ylethyl)-17-oxa-3-thia-7,10,11,20,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaene-6,13-dione (CID 158414863) is tert-butyl 4-[2-(6,13-dioxo-17-oxa-3-thia-7,10,11,20,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaen-10-yl)ethyl]piperazine-1-carboxylate;11-[2-(4-methylpiperazin-1-yl)ethyl]-17,20-dioxa-3-thia-7,10,11,22,26-pentazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8(12),9,21,23-heptaene-6,13-dione;10-[2-(4-methylpiperazin-1-yl)ethyl]-17-oxa-3-thia-7,10,11,20,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaene-6,13-dione;11-[2-(4-methylpiperazin-1-yl)ethyl]-17-oxa-3-thia-7,10,11,20,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8(12),9,21,23-heptaene-6,13-dione;10-(2-piperazin-1-ylethyl)-17-oxa-3-thia-7,10,11,20,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaene-6,13-dione.

What is the SMILES notation for Tert-butyl 4-[2-(6,13-dioxo-17-oxa-3-thia-7,10,11,20,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaen-10-yl)ethyl]piperazine-1-carboxylate;11-[2-(4-methylpiperazin-1-yl)ethyl]-17,20-dioxa-3-thia-7,10,11,22,26-pentazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8(12),9,21,23-heptaene-6,13-dione;10-[2-(4-methylpiperazin-1-yl)ethyl]-17-oxa-3-thia-7,10,11,20,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaene-6,13-dione;11-[2-(4-methylpiperazin-1-yl)ethyl]-17-oxa-3-thia-7,10,11,20,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8(12),9,21,23-heptaene-6,13-dione;10-(2-piperazin-1-ylethyl)-17-oxa-3-thia-7,10,11,20,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaene-6,13-dione?

The canonical SMILES for Tert-butyl 4-[2-(6,13-dioxo-17-oxa-3-thia-7,10,11,20,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaen-10-yl)ethyl]piperazine-1-carboxylate;11-[2-(4-methylpiperazin-1-yl)ethyl]-17,20-dioxa-3-thia-7,10,11,22,26-pentazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8(12),9,21,23-heptaene-6,13-dione;10-[2-(4-methylpiperazin-1-yl)ethyl]-17-oxa-3-thia-7,10,11,20,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaene-6,13-dione;11-[2-(4-methylpiperazin-1-yl)ethyl]-17-oxa-3-thia-7,10,11,20,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8(12),9,21,23-heptaene-6,13-dione;10-(2-piperazin-1-ylethyl)-17-oxa-3-thia-7,10,11,20,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaene-6,13-dione is CC(C)(C)OC(=O)N1CCN(CCn2cc3c(n2)C(=O)CCCOCCNc2cc(ccn2)-c2nc(cs2)C(=O)N3)CC1.CN1CCN(CCn2cc3c(n2)C(=O)CCCOCCNc2cc(ccn2)-c2nc(cs2)C(=O)N3)CC1.CN1CCN(CCn2ncc3c2C(=O)CCCOCCNc2cc(ccn2)-c2nc(cs2)C(=O)N3)CC1.CN1CCN(CCn2ncc3c2C(=O)CCCOCCOc2cc(ccn2)-c2nc(cs2)C(=O)N3)CC1.O=C1Nc2cn(CCN3CCNCC3)nc2C(=O)CCCOCCNc2cc(ccn2)-c2nc1cs2.

What is the InChIKey of Tert-butyl 4-[2-(6,13-dioxo-17-oxa-3-thia-7,10,11,20,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaen-10-yl)ethyl]piperazine-1-carboxylate;11-[2-(4-methylpiperazin-1-yl)ethyl]-17,20-dioxa-3-thia-7,10,11,22,26-pentazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8(12),9,21,23-heptaene-6,13-dione;10-[2-(4-methylpiperazin-1-yl)ethyl]-17-oxa-3-thia-7,10,11,20,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaene-6,13-dione;11-[2-(4-methylpiperazin-1-yl)ethyl]-17-oxa-3-thia-7,10,11,20,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8(12),9,21,23-heptaene-6,13-dione;10-(2-piperazin-1-ylethyl)-17-oxa-3-thia-7,10,11,20,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaene-6,13-dione?

The InChIKey is GZTLDOJPZJGFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N8O5S.2C25H32N8O3S.C25H31N7O4S.C24H30N8O3S/c1-29(2,3)42-28(40)36-12-9-35(10-13-36)11-14-37-18-21-25(34-37)23(38)5-4-15-41-16-8-31-24-17-20(6-7-30-24)27-33-22(19-43-27)26(39)32-21;1-31-7-9-32(10-8-31)11-12-33-16-19-23(30-33)21(34)3-2-13-36-14-6-27-22-15-18(4-5-26-22)25-29-20(17-37-25)24(35)28-19;1-31-7-9-32(10-8-31)11-12-33-23-19(16-28-33)29-24(35)20-17-37-25(30-20)18-4-5-26-22(15-18)27-6-14-36-13-2-3-21(23)34;1-30-6-8-31(9-7-30)10-11-32-23-19(16-27-32)28-24(34)20-17-37-25(29-20)18-4-5-26-22(15-18)36-14-13-35-12-2-3-21(23)33;33-20-2-1-12-35-13-7-27-21-14-17(3-4-26-21)24-29-19(16-36-24)23(34)28-18-15-32(30-22(18)20)11-10-31-8-5-25-6-9-31/h6-7,17-19H,4-5,8-16H2,1-3H3,(H,30,31)(H,32,39);4-5,15-17H,2-3,6-14H2,1H3,(H,26,27)(H,28,35);4-5,15-17H,2-3,6-14H2,1H3,(H,26,27)(H,29,35);4-5,15-17H,2-3,6-14H2,1H3,(H,28,34);3-4,14-16,25H,1-2,5-13H2,(H,26,27)(H,28,34).

What are the key properties of Tert-butyl 4-[2-(6,13-dioxo-17-oxa-3-thia-7,10,11,20,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaen-10-yl)ethyl]piperazine-1-carboxylate;11-[2-(4-methylpiperazin-1-yl)ethyl]-17,20-dioxa-3-thia-7,10,11,22,26-pentazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8(12),9,21,23-heptaene-6,13-dione;10-[2-(4-methylpiperazin-1-yl)ethyl]-17-oxa-3-thia-7,10,11,20,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaene-6,13-dione;11-[2-(4-methylpiperazin-1-yl)ethyl]-17-oxa-3-thia-7,10,11,20,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8(12),9,21,23-heptaene-6,13-dione;10-(2-piperazin-1-ylethyl)-17-oxa-3-thia-7,10,11,20,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaene-6,13-dione?

Tert-butyl 4-[2-(6,13-dioxo-17-oxa-3-thia-7,10,11,20,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaen-10-yl)ethyl]piperazine-1-carboxylate;11-[2-(4-methylpiperazin-1-yl)ethyl]-17,20-dioxa-3-thia-7,10,11,22,26-pentazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8(12),9,21,23-heptaene-6,13-dione;10-[2-(4-methylpiperazin-1-yl)ethyl]-17-oxa-3-thia-7,10,11,20,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaene-6,13-dione;11-[2-(4-methylpiperazin-1-yl)ethyl]-17-oxa-3-thia-7,10,11,20,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8(12),9,21,23-heptaene-6,13-dione;10-(2-piperazin-1-ylethyl)-17-oxa-3-thia-7,10,11,20,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaene-6,13-dione has a molecular weight of 2696.30 g/mol, XLogP of 12.46, 15 rotatable bonds, 10 hydrogen bond donors, and 56 hydrogen bond acceptors.

Where does this data come from?

All data for Tert-butyl 4-[2-(6,13-dioxo-17-oxa-3-thia-7,10,11,20,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaen-10-yl)ethyl]piperazine-1-carboxylate;11-[2-(4-methylpiperazin-1-yl)ethyl]-17,20-dioxa-3-thia-7,10,11,22,26-pentazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8(12),9,21,23-heptaene-6,13-dione;10-[2-(4-methylpiperazin-1-yl)ethyl]-17-oxa-3-thia-7,10,11,20,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaene-6,13-dione;11-[2-(4-methylpiperazin-1-yl)ethyl]-17-oxa-3-thia-7,10,11,20,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8(12),9,21,23-heptaene-6,13-dione;10-(2-piperazin-1-ylethyl)-17-oxa-3-thia-7,10,11,20,22,26-hexazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaene-6,13-dione is sourced from PubChem (CID 158414863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158414863 — identifiers, structure, computed properties (public domain)

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