(3'R,4S,6'S,7'R,11'S,12'R)-7'-[[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]methyl]-7-chloro-11',12'-dimethyl-13'-methylidene-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-triene]-15'-one;(3'R,4S,6'S,7'S,11'S,12'R)-7-chloro-7'-[[4-(2-methoxyethyl)-3-oxopiperazin-1-yl]methyl]-11',12'-dimethyl-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-triene]-15'-one;(3'R,4S,6'S,7'R,11'S,12'R)-7-chloro-7'-[[4-(2-methoxyethyl)-3-oxopiperazin-1-yl]methyl]-11',12'-dimethyl-13'-methylidene-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-triene]-15'-one

C123H172Cl3N13O14S3 — CID 160774334

About (3'R,4S,6'S,7'R,11'S,12'R)-7'-[[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]methyl]-7-chloro-11',12'-dimethyl-13'-methylidene-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-triene]-15'-one;(3'R,4S,6'S,7'S,11'S,12'R)-7-chloro-7'-[[4-(2-methoxyethyl)-3-oxopiperazin-1-yl]methyl]-11',12'-dimethyl-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-triene]-15'-one;(3'R,4S,6'S,7'R,11'S,12'R)-7-chloro-7'-[[4-(2-methoxyethyl)-3-oxopiperazin-1-yl]methyl]-11',12'-dimethyl-13'-methylidene-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-triene]-15'-one

(3'R,4S,6'S,7'R,11'S,12'R)-7'-[[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]methyl]-7-chloro-11',12'-dimethyl-13'-methylidene-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-triene]-15'-one;(3'R,4S,6'S,7'S,11'S,12'R)-7-chloro-7'-[[4-(2-methoxyethyl)-3-oxopiperazin-1-yl]methyl]-11',12'-dimethyl-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-triene]-15'-one;(3'R,4S,6'S,7'R,11'S,12'R)-7-chloro-7'-[[4-(2-methoxyethyl)-3-oxopiperazin-1-yl]methyl]-11',12'-dimethyl-13'-methylidene-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-triene]-15'-one (PubChem CID 160774334) has the molecular formula C123H172Cl3N13O14S3 and a molecular weight of 2259.37 g/mol. Its IUPAC name is (3'R,4S,6'S,7'R,11'S,12'R)-7'-[[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]methyl]-7-chloro-11',12'-dimethyl-13'-methylidene-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-triene]-15'-one;(3'R,4S,6'S,7'S,11'S,12'R)-7-chloro-7'-[[4-(2-methoxyethyl)-3-oxopiperazin-1-yl]methyl]-11',12'-dimethyl-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-triene]-15'-one;(3'R,4S,6'S,7'R,11'S,12'R)-7-chloro-7'-[[4-(2-methoxyethyl)-3-oxopiperazin-1-yl]methyl]-11',12'-dimethyl-13'-methylidene-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-triene]-15'-one.

Molecular Properties

• Compound Name: (3'R,4S,6'S,7'R,11'S,12'R)-7'-[[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]methyl]-7-chloro-11',12'-dimethyl-13'-methylidene-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-triene]-15'-one;(3'R,4S,6'S,7'S,11'S,12'R)-7-chloro-7'-[[4-(2-methoxyethyl)-3-oxopiperazin-1-yl]methyl]-11',12'-dimethyl-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-triene]-15'-one;(3'R,4S,6'S,7'R,11'S,12'R)-7-chloro-7'-[[4-(2-methoxyethyl)-3-oxopiperazin-1-yl]methyl]-11',12'-dimethyl-13'-methylidene-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-triene]-15'-one
• PubChem CID: 160774334
• Molecular Formula: C123H172Cl3N13O14S3
• Molecular Weight: 2259.37 g/mol
• Exact Mass: 2256.14
• IUPAC Name: (3'R,4S,6'S,7'R,11'S,12'R)-7'-[[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]methyl]-7-chloro-11',12'-dimethyl-13'-methylidene-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-triene]-15'-one;(3'R,4S,6'S,7'S,11'S,12'R)-7-chloro-7'-[[4-(2-methoxyethyl)-3-oxopiperazin-1-yl]methyl]-11',12'-dimethyl-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-triene]-15'-one;(3'R,4S,6'S,7'R,11'S,12'R)-7-chloro-7'-[[4-(2-methoxyethyl)-3-oxopiperazin-1-yl]methyl]-11',12'-dimethyl-13'-methylidene-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-triene]-15'-one
• SMILES: C=S1(=O)NC(=O)c2ccc3c(c2)N(C[C@@H]2CC[C@H]2[C@H](CN2CCN(CCOC)C(=O)C2)CCC[C@H](C)[C@H]1C)C[C@@]1(CCCc2cc(Cl)ccc21)CO3.C=S1(=O)NC(=O)c2ccc3c(c2)N(C[C@@H]2CC[C@H]2[C@H](CN2CCN4CCN(C)C[C@H]4C2)CCC[C@H](C)[C@H]1C)C[C@@]1(CCCc2cc(Cl)ccc21)CO3.COCCN1CCN(C[C@H]2CCC[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)c3ccc4c(c3)N(C[C@@H]3CC[C@@H]23)C[C@@]2(CCCc3cc(Cl)ccc32)CO4)CC1=O
• InChI: InChI=1S/C42H60ClN5O3S.C41H57ClN4O5S.C40H55ClN4O6S/c1-29-7-5-8-33(23-46-18-20-47-19-17-45(3)25-36(47)26-46)37-13-10-34(37)24-48-27-42(16-6-9-31-21-35(43)12-14-38(31)42)28-51-40-15-11-32(22-39(40)48)41(49)44-52(4,50)30(29)2;1-28-7-5-8-32(23-44-17-18-45(19-20-50-3)39(47)25-44)35-13-10-33(35)24-46-26-41(16-6-9-30-21-34(42)12-14-36(30)41)27-51-38-15-11-31(22-37(38)46)40(48)43-52(4,49)29(28)2;1-27-6-4-7-31(22-43-16-17-44(18-19-50-3)38(46)24-43)34-12-9-32(34)23-45-25-40(15-5-8-29-20-33(41)11-13-35(29)40)26-51-37-14-10-30(21-36(37)45)39(47)42-52(48,49)28(27)2/h11-12,14-15,21-22,29-30,33-34,36-37H,4-10,13,16-20,23-28H2,1-3H3,(H,44,49,50);11-12,14-15,21-22,28-29,32-33,35H,4-10,13,16-20,23-27H2,1-3H3,(H,43,48,49);10-11,13-14,20-21,27-28,31-32,34H,4-9,12,15-19,22-26H2,1-3H3,(H,42,47)/t29-,30+,33-,34-,36-,37-,42-,52?;28-,29+,32-,33-,35-,41-,52?;27-,28+,31+,32-,34-,40-/m000/s1
• InChIKey: RZSYHSASBCXPOA-GXHFJALLSA-N
• XLogP: 17.29
• TPSA: 268.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 12
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2259.37
LogP ≤ 5	17.29
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3'R,4S,6'S,7'R,11'S,12'R)-7'-[[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]methyl]-7-chloro-11',12'-dimethyl-13'-methylidene-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-triene]-15'-one;(3'R,4S,6'S,7'S,11'S,12'R)-7-chloro-7'-[[4-(2-methoxyethyl)-3-oxopiperazin-1-yl]methyl]-11',12'-dimethyl-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-triene]-15'-one;(3'R,4S,6'S,7'R,11'S,12'R)-7-chloro-7'-[[4-(2-methoxyethyl)-3-oxopiperazin-1-yl]methyl]-11',12'-dimethyl-13'-methylidene-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-triene]-15'-one?

The IUPAC name of (3'R,4S,6'S,7'R,11'S,12'R)-7'-[[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]methyl]-7-chloro-11',12'-dimethyl-13'-methylidene-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-triene]-15'-one;(3'R,4S,6'S,7'S,11'S,12'R)-7-chloro-7'-[[4-(2-methoxyethyl)-3-oxopiperazin-1-yl]methyl]-11',12'-dimethyl-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-triene]-15'-one;(3'R,4S,6'S,7'R,11'S,12'R)-7-chloro-7'-[[4-(2-methoxyethyl)-3-oxopiperazin-1-yl]methyl]-11',12'-dimethyl-13'-methylidene-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-triene]-15'-one (CID 160774334) is (3'R,4S,6'S,7'R,11'S,12'R)-7'-[[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]methyl]-7-chloro-11',12'-dimethyl-13'-methylidene-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-triene]-15'-one;(3'R,4S,6'S,7'S,11'S,12'R)-7-chloro-7'-[[4-(2-methoxyethyl)-3-oxopiperazin-1-yl]methyl]-11',12'-dimethyl-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-triene]-15'-one;(3'R,4S,6'S,7'R,11'S,12'R)-7-chloro-7'-[[4-(2-methoxyethyl)-3-oxopiperazin-1-yl]methyl]-11',12'-dimethyl-13'-methylidene-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-triene]-15'-one.

What is the SMILES notation for (3'R,4S,6'S,7'R,11'S,12'R)-7'-[[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]methyl]-7-chloro-11',12'-dimethyl-13'-methylidene-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-triene]-15'-one;(3'R,4S,6'S,7'S,11'S,12'R)-7-chloro-7'-[[4-(2-methoxyethyl)-3-oxopiperazin-1-yl]methyl]-11',12'-dimethyl-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-triene]-15'-one;(3'R,4S,6'S,7'R,11'S,12'R)-7-chloro-7'-[[4-(2-methoxyethyl)-3-oxopiperazin-1-yl]methyl]-11',12'-dimethyl-13'-methylidene-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-triene]-15'-one?

The canonical SMILES for (3'R,4S,6'S,7'R,11'S,12'R)-7'-[[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]methyl]-7-chloro-11',12'-dimethyl-13'-methylidene-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-triene]-15'-one;(3'R,4S,6'S,7'S,11'S,12'R)-7-chloro-7'-[[4-(2-methoxyethyl)-3-oxopiperazin-1-yl]methyl]-11',12'-dimethyl-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-triene]-15'-one;(3'R,4S,6'S,7'R,11'S,12'R)-7-chloro-7'-[[4-(2-methoxyethyl)-3-oxopiperazin-1-yl]methyl]-11',12'-dimethyl-13'-methylidene-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-triene]-15'-one is C=S1(=O)NC(=O)c2ccc3c(c2)N(C[C@@H]2CC[C@H]2[C@H](CN2CCN(CCOC)C(=O)C2)CCC[C@H](C)[C@H]1C)C[C@@]1(CCCc2cc(Cl)ccc21)CO3.C=S1(=O)NC(=O)c2ccc3c(c2)N(C[C@@H]2CC[C@H]2[C@H](CN2CCN4CCN(C)C[C@H]4C2)CCC[C@H](C)[C@H]1C)C[C@@]1(CCCc2cc(Cl)ccc21)CO3.COCCN1CCN(C[C@H]2CCC[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)c3ccc4c(c3)N(C[C@@H]3CC[C@@H]23)C[C@@]2(CCCc3cc(Cl)ccc32)CO4)CC1=O.

What is the InChIKey of (3'R,4S,6'S,7'R,11'S,12'R)-7'-[[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]methyl]-7-chloro-11',12'-dimethyl-13'-methylidene-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-triene]-15'-one;(3'R,4S,6'S,7'S,11'S,12'R)-7-chloro-7'-[[4-(2-methoxyethyl)-3-oxopiperazin-1-yl]methyl]-11',12'-dimethyl-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-triene]-15'-one;(3'R,4S,6'S,7'R,11'S,12'R)-7-chloro-7'-[[4-(2-methoxyethyl)-3-oxopiperazin-1-yl]methyl]-11',12'-dimethyl-13'-methylidene-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-triene]-15'-one?

The InChIKey is RZSYHSASBCXPOA-GXHFJALLSA-N. The full InChI is InChI=1S/C42H60ClN5O3S.C41H57ClN4O5S.C40H55ClN4O6S/c1-29-7-5-8-33(23-46-18-20-47-19-17-45(3)25-36(47)26-46)37-13-10-34(37)24-48-27-42(16-6-9-31-21-35(43)12-14-38(31)42)28-51-40-15-11-32(22-39(40)48)41(49)44-52(4,50)30(29)2;1-28-7-5-8-32(23-44-17-18-45(19-20-50-3)39(47)25-44)35-13-10-33(35)24-46-26-41(16-6-9-30-21-34(42)12-14-36(30)41)27-51-38-15-11-31(22-37(38)46)40(48)43-52(4,49)29(28)2;1-27-6-4-7-31(22-43-16-17-44(18-19-50-3)38(46)24-43)34-12-9-32(34)23-45-25-40(15-5-8-29-20-33(41)11-13-35(29)40)26-51-37-14-10-30(21-36(37)45)39(47)42-52(48,49)28(27)2/h11-12,14-15,21-22,29-30,33-34,36-37H,4-10,13,16-20,23-28H2,1-3H3,(H,44,49,50);11-12,14-15,21-22,28-29,32-33,35H,4-10,13,16-20,23-27H2,1-3H3,(H,43,48,49);10-11,13-14,20-21,27-28,31-32,34H,4-9,12,15-19,22-26H2,1-3H3,(H,42,47)/t29-,30+,33-,34-,36-,37-,42-,52?;28-,29+,32-,33-,35-,41-,52?;27-,28+,31+,32-,34-,40-/m000/s1.

What are the key properties of (3'R,4S,6'S,7'R,11'S,12'R)-7'-[[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]methyl]-7-chloro-11',12'-dimethyl-13'-methylidene-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-triene]-15'-one;(3'R,4S,6'S,7'S,11'S,12'R)-7-chloro-7'-[[4-(2-methoxyethyl)-3-oxopiperazin-1-yl]methyl]-11',12'-dimethyl-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-triene]-15'-one;(3'R,4S,6'S,7'R,11'S,12'R)-7-chloro-7'-[[4-(2-methoxyethyl)-3-oxopiperazin-1-yl]methyl]-11',12'-dimethyl-13'-methylidene-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-triene]-15'-one?

(3'R,4S,6'S,7'R,11'S,12'R)-7'-[[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]methyl]-7-chloro-11',12'-dimethyl-13'-methylidene-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-triene]-15'-one;(3'R,4S,6'S,7'S,11'S,12'R)-7-chloro-7'-[[4-(2-methoxyethyl)-3-oxopiperazin-1-yl]methyl]-11',12'-dimethyl-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-triene]-15'-one;(3'R,4S,6'S,7'R,11'S,12'R)-7-chloro-7'-[[4-(2-methoxyethyl)-3-oxopiperazin-1-yl]methyl]-11',12'-dimethyl-13'-methylidene-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-triene]-15'-one has a molecular weight of 2259.37 g/mol, XLogP of 17.29, 12 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (3'R,4S,6'S,7'R,11'S,12'R)-7'-[[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]methyl]-7-chloro-11',12'-dimethyl-13'-methylidene-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-triene]-15'-one;(3'R,4S,6'S,7'S,11'S,12'R)-7-chloro-7'-[[4-(2-methoxyethyl)-3-oxopiperazin-1-yl]methyl]-11',12'-dimethyl-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-triene]-15'-one;(3'R,4S,6'S,7'R,11'S,12'R)-7-chloro-7'-[[4-(2-methoxyethyl)-3-oxopiperazin-1-yl]methyl]-11',12'-dimethyl-13'-methylidene-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-triene]-15'-one is sourced from PubChem (CID 160774334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).