4-[1-benzyl-2-(4-chlorophenyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazine-1-carbaldehyde;4-(1-benzyl-5-oxo-2-phenyl-3-phenylsulfanylpyrrolidine-3-carbonyl)piperazine-1-carbaldehyde;4-(4-butanoylpiperazine-1-carbonyl)-5-(6-chloro-1H-indol-3-yl)-1-(cyclopropylmethyl)-4-phenylsulfanylpyrrolidin-2-one;4-(4-butanoylpiperazine-1-carbonyl)-5-(4-chlorophenyl)-1-(cyclopropylmethyl)-4-phenylsulfanylpyrrolidin-2-one;4-[2-(4-chlorophenyl)-5-oxo-3-phenylsulfanyl-1-(pyridin-3-ylmethyl)pyrrolidine-3-carbonyl]piperazine-1-carbaldehyde;4-[2-(1H-indol-3-yl)-5-oxo-3-phenylsulfanyl-1-(pyridin-3-ylmethyl)pyrrolidine-3-carbonyl]piperazine-1-carbaldehyde

C176H182Cl4N22O18S6 — CID 157340791

IUPAC4-[1-benzyl-2-(4-chlorophenyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazine-1-carbaldehyde;4-(1-benzyl-5-oxo-2-phenyl-3-phenylsulfanylpyrrolidine-3-carbonyl)piperazine-1-carbaldehyde;4-(4-butanoylpiperazine-1-carbonyl)-5-(6-chloro-1H-indol-3-yl)-1-(cyclopropylmethyl)-4-phenylsulfanylpyrrolidin-2-one;4-(4-butanoylpiperazine-1-carbonyl)-5-(4-chlorophenyl)-1-(cyclopropylmethyl)-4-phenylsulfanylpyrrolidin-2-one;4-[2-(4-chlorophenyl)-5-oxo-3-phenylsulfanyl-1-(pyridin-3-ylmethyl)pyrrolidine-3-carbonyl]piperazine-1-carbaldehyde;4-[2-(1H-indol-3-yl)-5-oxo-3-phenylsulfanyl-1-(pyridin-3-ylmethyl)pyrrolidine-3-carbonyl]piperazine-1-carbaldehyde
SMILESCCCC(=O)N1CCN(C(=O)C2(Sc3ccccc3)CC(=O)N(CC3CC3)C2c2c[nH]c3cc(Cl)ccc23)CC1.CCCC(=O)N1CCN(C(=O)C2(Sc3ccccc3)CC(=O)N(CC3CC3)C2c2ccc(Cl)cc2)CC1.O=CN1CCN(C(=O)C2(Sc3ccccc3)CC(=O)N(Cc3ccccc3)C2c2ccc(Cl)cc2)CC1.O=CN1CCN(C(=O)C2(Sc3ccccc3)CC(=O)N(Cc3ccccc3)C2c2ccccc2)CC1.O=CN1CCN(C(=O)C2(Sc3ccccc3)CC(=O)N(Cc3cccnc3)C2c2c[nH]c3ccccc23)CC1.O=CN1CCN(C(=O)C2(Sc3ccccc3)CC(=O)N(Cc3cccnc3)C2c2ccc(Cl)cc2)CC1
InChIInChI=1S/C31H35ClN4O3S.C30H29N5O3S.C29H28ClN3O3S.C29H34ClN3O3S.C29H29N3O3S.C28H27ClN4O3S/c1-2-6-27(37)34-13-15-35(16-14-34)30(39)31(40-23-7-4-3-5-8-23)18-28(38)36(20-21-9-10-21)29(31)25-19-33-26-17-22(32)11-12-24(25)26;36-21-33-13-15-34(16-14-33)29(38)30(39-23-8-2-1-3-9-23)17-27(37)35(20-22-7-6-12-31-18-22)28(30)25-19-32-26-11-5-4-10-24(25)26;30-24-13-11-23(12-14-24)27-29(37-25-9-5-2-6-10-25,28(36)32-17-15-31(21-34)16-18-32)19-26(35)33(27)20-22-7-3-1-4-8-22;1-2-6-25(34)31-15-17-32(18-16-31)28(36)29(37-24-7-4-3-5-8-24)19-26(35)33(20-21-9-10-21)27(29)22-11-13-23(30)14-12-22;33-22-30-16-18-31(19-17-30)28(35)29(36-25-14-8-3-9-15-25)20-26(34)32(21-23-10-4-1-5-11-23)27(29)24-12-6-2-7-13-24;29-23-10-8-22(9-11-23)26-28(37-24-6-2-1-3-7-24,27(36)32-15-13-31(20-34)14-16-32)17-25(35)33(26)19-21-5-4-12-30-18-21/h3-5,7-8,11-12,17,19,21,29,33H,2,6,9-10,13-16,18,20H2,1H3;1-12,18-19,21,28,32H,13-17,20H2;1-14,21,27H,15-20H2;3-5,7-8,11-14,21,27H,2,6,9-10,15-20H2,1H3;1-15,22,27H,16-21H2;1-12,18,20,26H,13-17,19H2
InChIKeyBGJGNLMFDMVUON-UHFFFAOYSA-N
MW3227.74 g/mol
LogP27.08
Rot. Bonds44

About 4-[1-benzyl-2-(4-chlorophenyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazine-1-carbaldehyde;4-(1-benzyl-5-oxo-2-phenyl-3-phenylsulfanylpyrrolidine-3-carbonyl)piperazine-1-carbaldehyde;4-(4-butanoylpiperazine-1-carbonyl)-5-(6-chloro-1H-indol-3-yl)-1-(cyclopropylmethyl)-4-phenylsulfanylpyrrolidin-2-one;4-(4-butanoylpiperazine-1-carbonyl)-5-(4-chlorophenyl)-1-(cyclopropylmethyl)-4-phenylsulfanylpyrrolidin-2-one;4-[2-(4-chlorophenyl)-5-oxo-3-phenylsulfanyl-1-(pyridin-3-ylmethyl)pyrrolidine-3-carbonyl]piperazine-1-carbaldehyde;4-[2-(1H-indol-3-yl)-5-oxo-3-phenylsulfanyl-1-(pyridin-3-ylmethyl)pyrrolidine-3-carbonyl]piperazine-1-carbaldehyde

4-[1-benzyl-2-(4-chlorophenyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazine-1-carbaldehyde;4-(1-benzyl-5-oxo-2-phenyl-3-phenylsulfanylpyrrolidine-3-carbonyl)piperazine-1-carbaldehyde;4-(4-butanoylpiperazine-1-carbonyl)-5-(6-chloro-1H-indol-3-yl)-1-(cyclopropylmethyl)-4-phenylsulfanylpyrrolidin-2-one;4-(4-butanoylpiperazine-1-carbonyl)-5-(4-chlorophenyl)-1-(cyclopropylmethyl)-4-phenylsulfanylpyrrolidin-2-one;4-[2-(4-chlorophenyl)-5-oxo-3-phenylsulfanyl-1-(pyridin-3-ylmethyl)pyrrolidine-3-carbonyl]piperazine-1-carbaldehyde;4-[2-(1H-indol-3-yl)-5-oxo-3-phenylsulfanyl-1-(pyridin-3-ylmethyl)pyrrolidine-3-carbonyl]piperazine-1-carbaldehyde (PubChem CID 157340791) has the molecular formula C176H182Cl4N22O18S6 and a molecular weight of 3227.74 g/mol. Its IUPAC name is 4-[1-benzyl-2-(4-chlorophenyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazine-1-carbaldehyde;4-(1-benzyl-5-oxo-2-phenyl-3-phenylsulfanylpyrrolidine-3-carbonyl)piperazine-1-carbaldehyde;4-(4-butanoylpiperazine-1-carbonyl)-5-(6-chloro-1H-indol-3-yl)-1-(cyclopropylmethyl)-4-phenylsulfanylpyrrolidin-2-one;4-(4-butanoylpiperazine-1-carbonyl)-5-(4-chlorophenyl)-1-(cyclopropylmethyl)-4-phenylsulfanylpyrrolidin-2-one;4-[2-(4-chlorophenyl)-5-oxo-3-phenylsulfanyl-1-(pyridin-3-ylmethyl)pyrrolidine-3-carbonyl]piperazine-1-carbaldehyde;4-[2-(1H-indol-3-yl)-5-oxo-3-phenylsulfanyl-1-(pyridin-3-ylmethyl)pyrrolidine-3-carbonyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[1-benzyl-2-(4-chlorophenyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazine-1-carbaldehyde;4-(1-benzyl-5-oxo-2-phenyl-3-phenylsulfanylpyrrolidine-3-carbonyl)piperazine-1-carbaldehyde;4-(4-butanoylpiperazine-1-carbonyl)-5-(6-chloro-1H-indol-3-yl)-1-(cyclopropylmethyl)-4-phenylsulfanylpyrrolidin-2-one;4-(4-butanoylpiperazine-1-carbonyl)-5-(4-chlorophenyl)-1-(cyclopropylmethyl)-4-phenylsulfanylpyrrolidin-2-one;4-[2-(4-chlorophenyl)-5-oxo-3-phenylsulfanyl-1-(pyridin-3-ylmethyl)pyrrolidine-3-carbonyl]piperazine-1-carbaldehyde;4-[2-(1H-indol-3-yl)-5-oxo-3-phenylsulfanyl-1-(pyridin-3-ylmethyl)pyrrolidine-3-carbonyl]piperazine-1-carbaldehyde
PubChem CID157340791
Molecular FormulaC176H182Cl4N22O18S6
Molecular Weight3227.74 g/mol
Exact Mass3223.11
IUPAC Name4-[1-benzyl-2-(4-chlorophenyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazine-1-carbaldehyde;4-(1-benzyl-5-oxo-2-phenyl-3-phenylsulfanylpyrrolidine-3-carbonyl)piperazine-1-carbaldehyde;4-(4-butanoylpiperazine-1-carbonyl)-5-(6-chloro-1H-indol-3-yl)-1-(cyclopropylmethyl)-4-phenylsulfanylpyrrolidin-2-one;4-(4-butanoylpiperazine-1-carbonyl)-5-(4-chlorophenyl)-1-(cyclopropylmethyl)-4-phenylsulfanylpyrrolidin-2-one;4-[2-(4-chlorophenyl)-5-oxo-3-phenylsulfanyl-1-(pyridin-3-ylmethyl)pyrrolidine-3-carbonyl]piperazine-1-carbaldehyde;4-[2-(1H-indol-3-yl)-5-oxo-3-phenylsulfanyl-1-(pyridin-3-ylmethyl)pyrrolidine-3-carbonyl]piperazine-1-carbaldehyde
SMILESCCCC(=O)N1CCN(C(=O)C2(Sc3ccccc3)CC(=O)N(CC3CC3)C2c2c[nH]c3cc(Cl)ccc23)CC1.CCCC(=O)N1CCN(C(=O)C2(Sc3ccccc3)CC(=O)N(CC3CC3)C2c2ccc(Cl)cc2)CC1.O=CN1CCN(C(=O)C2(Sc3ccccc3)CC(=O)N(Cc3ccccc3)C2c2ccc(Cl)cc2)CC1.O=CN1CCN(C(=O)C2(Sc3ccccc3)CC(=O)N(Cc3ccccc3)C2c2ccccc2)CC1.O=CN1CCN(C(=O)C2(Sc3ccccc3)CC(=O)N(Cc3cccnc3)C2c2c[nH]c3ccccc23)CC1.O=CN1CCN(C(=O)C2(Sc3ccccc3)CC(=O)N(Cc3cccnc3)C2c2ccc(Cl)cc2)CC1
InChIInChI=1S/C31H35ClN4O3S.C30H29N5O3S.C29H28ClN3O3S.C29H34ClN3O3S.C29H29N3O3S.C28H27ClN4O3S/c1-2-6-27(37)34-13-15-35(16-14-34)30(39)31(40-23-7-4-3-5-8-23)18-28(38)36(20-21-9-10-21)29(31)25-19-33-26-17-22(32)11-12-24(25)26;36-21-33-13-15-34(16-14-33)29(38)30(39-23-8-2-1-3-9-23)17-27(37)35(20-22-7-6-12-31-18-22)28(30)25-19-32-26-11-5-4-10-24(25)26;30-24-13-11-23(12-14-24)27-29(37-25-9-5-2-6-10-25,28(36)32-17-15-31(21-34)16-18-32)19-26(35)33(27)20-22-7-3-1-4-8-22;1-2-6-25(34)31-15-17-32(18-16-31)28(36)29(37-24-7-4-3-5-8-24)19-26(35)33(20-21-9-10-21)27(29)22-11-13-23(30)14-12-22;33-22-30-16-18-31(19-17-30)28(35)29(36-25-14-8-3-9-15-25)20-26(34)32(21-23-10-4-1-5-11-23)27(29)24-12-6-2-7-13-24;29-23-10-8-22(9-11-23)26-28(37-24-6-2-1-3-7-24,27(36)32-15-13-31(20-34)14-16-32)17-25(35)33(26)19-21-5-4-12-30-18-21/h3-5,7-8,11-12,17,19,21,29,33H,2,6,9-10,13-16,18,20H2,1H3;1-12,18-19,21,28,32H,13-17,20H2;1-14,21,27H,15-20H2;3-5,7-8,11-14,21,27H,2,6,9-10,15-20H2,1H3;1-15,22,27H,16-21H2;1-12,18,20,26H,13-17,19H2
InChIKeyBGJGNLMFDMVUON-UHFFFAOYSA-N
XLogP27.08
TPSA422.94 Ų
H-Bond Donors2
H-Bond Acceptors26
Rotatable Bonds44
Heavy Atoms226
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003227.74
LogP ≤ 527.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze 4-[1-benzyl-2-(4-chlorophenyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazine-1-carbaldehyde;4-(1-benzyl-5-oxo-2-phenyl-3-phenylsulfanylpyrrolidine-3-carbonyl)piperazine-1-carbaldehyde;4-(4-butanoylpiperazine-1-carbonyl)-5-(6-chloro-1H-indol-3-yl)-1-(cyclopropylmethyl)-4-phenylsulfanylpyrrolidin-2-one;4-(4-butanoylpiperazine-1-carbonyl)-5-(4-chlorophenyl)-1-(cyclopropylmethyl)-4-phenylsulfanylpyrrolidin-2-one;4-[2-(4-chlorophenyl)-5-oxo-3-phenylsulfanyl-1-(pyridin-3-ylmethyl)pyrrolidine-3-carbonyl]piperazine-1-carbaldehyde;4-[2-(1H-indol-3-yl)-5-oxo-3-phenylsulfanyl-1-(pyridin-3-ylmethyl)pyrrolidine-3-carbonyl]piperazine-1-carbaldehyde with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[1-benzyl-2-(4-chlorophenyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazine-1-carbaldehyde;4-(1-benzyl-5-oxo-2-phenyl-3-phenylsulfanylpyrrolidine-3-carbonyl)piperazine-1-carbaldehyde;4-(4-butanoylpiperazine-1-carbonyl)-5-(6-chloro-1H-indol-3-yl)-1-(cyclopropylmethyl)-4-phenylsulfanylpyrrolidin-2-one;4-(4-butanoylpiperazine-1-carbonyl)-5-(4-chlorophenyl)-1-(cyclopropylmethyl)-4-phenylsulfanylpyrrolidin-2-one;4-[2-(4-chlorophenyl)-5-oxo-3-phenylsulfanyl-1-(pyridin-3-ylmethyl)pyrrolidine-3-carbonyl]piperazine-1-carbaldehyde;4-[2-(1H-indol-3-yl)-5-oxo-3-phenylsulfanyl-1-(pyridin-3-ylmethyl)pyrrolidine-3-carbonyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[1-benzyl-2-(4-chlorophenyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazine-1-carbaldehyde;4-(1-benzyl-5-oxo-2-phenyl-3-phenylsulfanylpyrrolidine-3-carbonyl)piperazine-1-carbaldehyde;4-(4-butanoylpiperazine-1-carbonyl)-5-(6-chloro-1H-indol-3-yl)-1-(cyclopropylmethyl)-4-phenylsulfanylpyrrolidin-2-one;4-(4-butanoylpiperazine-1-carbonyl)-5-(4-chlorophenyl)-1-(cyclopropylmethyl)-4-phenylsulfanylpyrrolidin-2-one;4-[2-(4-chlorophenyl)-5-oxo-3-phenylsulfanyl-1-(pyridin-3-ylmethyl)pyrrolidine-3-carbonyl]piperazine-1-carbaldehyde;4-[2-(1H-indol-3-yl)-5-oxo-3-phenylsulfanyl-1-(pyridin-3-ylmethyl)pyrrolidine-3-carbonyl]piperazine-1-carbaldehyde (CID 157340791) is 4-[1-benzyl-2-(4-chlorophenyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazine-1-carbaldehyde;4-(1-benzyl-5-oxo-2-phenyl-3-phenylsulfanylpyrrolidine-3-carbonyl)piperazine-1-carbaldehyde;4-(4-butanoylpiperazine-1-carbonyl)-5-(6-chloro-1H-indol-3-yl)-1-(cyclopropylmethyl)-4-phenylsulfanylpyrrolidin-2-one;4-(4-butanoylpiperazine-1-carbonyl)-5-(4-chlorophenyl)-1-(cyclopropylmethyl)-4-phenylsulfanylpyrrolidin-2-one;4-[2-(4-chlorophenyl)-5-oxo-3-phenylsulfanyl-1-(pyridin-3-ylmethyl)pyrrolidine-3-carbonyl]piperazine-1-carbaldehyde;4-[2-(1H-indol-3-yl)-5-oxo-3-phenylsulfanyl-1-(pyridin-3-ylmethyl)pyrrolidine-3-carbonyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[1-benzyl-2-(4-chlorophenyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazine-1-carbaldehyde;4-(1-benzyl-5-oxo-2-phenyl-3-phenylsulfanylpyrrolidine-3-carbonyl)piperazine-1-carbaldehyde;4-(4-butanoylpiperazine-1-carbonyl)-5-(6-chloro-1H-indol-3-yl)-1-(cyclopropylmethyl)-4-phenylsulfanylpyrrolidin-2-one;4-(4-butanoylpiperazine-1-carbonyl)-5-(4-chlorophenyl)-1-(cyclopropylmethyl)-4-phenylsulfanylpyrrolidin-2-one;4-[2-(4-chlorophenyl)-5-oxo-3-phenylsulfanyl-1-(pyridin-3-ylmethyl)pyrrolidine-3-carbonyl]piperazine-1-carbaldehyde;4-[2-(1H-indol-3-yl)-5-oxo-3-phenylsulfanyl-1-(pyridin-3-ylmethyl)pyrrolidine-3-carbonyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[1-benzyl-2-(4-chlorophenyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazine-1-carbaldehyde;4-(1-benzyl-5-oxo-2-phenyl-3-phenylsulfanylpyrrolidine-3-carbonyl)piperazine-1-carbaldehyde;4-(4-butanoylpiperazine-1-carbonyl)-5-(6-chloro-1H-indol-3-yl)-1-(cyclopropylmethyl)-4-phenylsulfanylpyrrolidin-2-one;4-(4-butanoylpiperazine-1-carbonyl)-5-(4-chlorophenyl)-1-(cyclopropylmethyl)-4-phenylsulfanylpyrrolidin-2-one;4-[2-(4-chlorophenyl)-5-oxo-3-phenylsulfanyl-1-(pyridin-3-ylmethyl)pyrrolidine-3-carbonyl]piperazine-1-carbaldehyde;4-[2-(1H-indol-3-yl)-5-oxo-3-phenylsulfanyl-1-(pyridin-3-ylmethyl)pyrrolidine-3-carbonyl]piperazine-1-carbaldehyde is CCCC(=O)N1CCN(C(=O)C2(Sc3ccccc3)CC(=O)N(CC3CC3)C2c2c[nH]c3cc(Cl)ccc23)CC1.CCCC(=O)N1CCN(C(=O)C2(Sc3ccccc3)CC(=O)N(CC3CC3)C2c2ccc(Cl)cc2)CC1.O=CN1CCN(C(=O)C2(Sc3ccccc3)CC(=O)N(Cc3ccccc3)C2c2ccc(Cl)cc2)CC1.O=CN1CCN(C(=O)C2(Sc3ccccc3)CC(=O)N(Cc3ccccc3)C2c2ccccc2)CC1.O=CN1CCN(C(=O)C2(Sc3ccccc3)CC(=O)N(Cc3cccnc3)C2c2c[nH]c3ccccc23)CC1.O=CN1CCN(C(=O)C2(Sc3ccccc3)CC(=O)N(Cc3cccnc3)C2c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-[1-benzyl-2-(4-chlorophenyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazine-1-carbaldehyde;4-(1-benzyl-5-oxo-2-phenyl-3-phenylsulfanylpyrrolidine-3-carbonyl)piperazine-1-carbaldehyde;4-(4-butanoylpiperazine-1-carbonyl)-5-(6-chloro-1H-indol-3-yl)-1-(cyclopropylmethyl)-4-phenylsulfanylpyrrolidin-2-one;4-(4-butanoylpiperazine-1-carbonyl)-5-(4-chlorophenyl)-1-(cyclopropylmethyl)-4-phenylsulfanylpyrrolidin-2-one;4-[2-(4-chlorophenyl)-5-oxo-3-phenylsulfanyl-1-(pyridin-3-ylmethyl)pyrrolidine-3-carbonyl]piperazine-1-carbaldehyde;4-[2-(1H-indol-3-yl)-5-oxo-3-phenylsulfanyl-1-(pyridin-3-ylmethyl)pyrrolidine-3-carbonyl]piperazine-1-carbaldehyde?
The InChIKey is BGJGNLMFDMVUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35ClN4O3S.C30H29N5O3S.C29H28ClN3O3S.C29H34ClN3O3S.C29H29N3O3S.C28H27ClN4O3S/c1-2-6-27(37)34-13-15-35(16-14-34)30(39)31(40-23-7-4-3-5-8-23)18-28(38)36(20-21-9-10-21)29(31)25-19-33-26-17-22(32)11-12-24(25)26;36-21-33-13-15-34(16-14-33)29(38)30(39-23-8-2-1-3-9-23)17-27(37)35(20-22-7-6-12-31-18-22)28(30)25-19-32-26-11-5-4-10-24(25)26;30-24-13-11-23(12-14-24)27-29(37-25-9-5-2-6-10-25,28(36)32-17-15-31(21-34)16-18-32)19-26(35)33(27)20-22-7-3-1-4-8-22;1-2-6-25(34)31-15-17-32(18-16-31)28(36)29(37-24-7-4-3-5-8-24)19-26(35)33(20-21-9-10-21)27(29)22-11-13-23(30)14-12-22;33-22-30-16-18-31(19-17-30)28(35)29(36-25-14-8-3-9-15-25)20-26(34)32(21-23-10-4-1-5-11-23)27(29)24-12-6-2-7-13-24;29-23-10-8-22(9-11-23)26-28(37-24-6-2-1-3-7-24,27(36)32-15-13-31(20-34)14-16-32)17-25(35)33(26)19-21-5-4-12-30-18-21/h3-5,7-8,11-12,17,19,21,29,33H,2,6,9-10,13-16,18,20H2,1H3;1-12,18-19,21,28,32H,13-17,20H2;1-14,21,27H,15-20H2;3-5,7-8,11-14,21,27H,2,6,9-10,15-20H2,1H3;1-15,22,27H,16-21H2;1-12,18,20,26H,13-17,19H2.
What are the key properties of 4-[1-benzyl-2-(4-chlorophenyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazine-1-carbaldehyde;4-(1-benzyl-5-oxo-2-phenyl-3-phenylsulfanylpyrrolidine-3-carbonyl)piperazine-1-carbaldehyde;4-(4-butanoylpiperazine-1-carbonyl)-5-(6-chloro-1H-indol-3-yl)-1-(cyclopropylmethyl)-4-phenylsulfanylpyrrolidin-2-one;4-(4-butanoylpiperazine-1-carbonyl)-5-(4-chlorophenyl)-1-(cyclopropylmethyl)-4-phenylsulfanylpyrrolidin-2-one;4-[2-(4-chlorophenyl)-5-oxo-3-phenylsulfanyl-1-(pyridin-3-ylmethyl)pyrrolidine-3-carbonyl]piperazine-1-carbaldehyde;4-[2-(1H-indol-3-yl)-5-oxo-3-phenylsulfanyl-1-(pyridin-3-ylmethyl)pyrrolidine-3-carbonyl]piperazine-1-carbaldehyde?
4-[1-benzyl-2-(4-chlorophenyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazine-1-carbaldehyde;4-(1-benzyl-5-oxo-2-phenyl-3-phenylsulfanylpyrrolidine-3-carbonyl)piperazine-1-carbaldehyde;4-(4-butanoylpiperazine-1-carbonyl)-5-(6-chloro-1H-indol-3-yl)-1-(cyclopropylmethyl)-4-phenylsulfanylpyrrolidin-2-one;4-(4-butanoylpiperazine-1-carbonyl)-5-(4-chlorophenyl)-1-(cyclopropylmethyl)-4-phenylsulfanylpyrrolidin-2-one;4-[2-(4-chlorophenyl)-5-oxo-3-phenylsulfanyl-1-(pyridin-3-ylmethyl)pyrrolidine-3-carbonyl]piperazine-1-carbaldehyde;4-[2-(1H-indol-3-yl)-5-oxo-3-phenylsulfanyl-1-(pyridin-3-ylmethyl)pyrrolidine-3-carbonyl]piperazine-1-carbaldehyde has a molecular weight of 3227.74 g/mol, XLogP of 27.08, 44 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-benzyl-2-(4-chlorophenyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazine-1-carbaldehyde;4-(1-benzyl-5-oxo-2-phenyl-3-phenylsulfanylpyrrolidine-3-carbonyl)piperazine-1-carbaldehyde;4-(4-butanoylpiperazine-1-carbonyl)-5-(6-chloro-1H-indol-3-yl)-1-(cyclopropylmethyl)-4-phenylsulfanylpyrrolidin-2-one;4-(4-butanoylpiperazine-1-carbonyl)-5-(4-chlorophenyl)-1-(cyclopropylmethyl)-4-phenylsulfanylpyrrolidin-2-one;4-[2-(4-chlorophenyl)-5-oxo-3-phenylsulfanyl-1-(pyridin-3-ylmethyl)pyrrolidine-3-carbonyl]piperazine-1-carbaldehyde;4-[2-(1H-indol-3-yl)-5-oxo-3-phenylsulfanyl-1-(pyridin-3-ylmethyl)pyrrolidine-3-carbonyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 157340791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).