4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(benzenesulfonamido)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(cyclohexylsulfonylamino)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonylphenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(cyclopropylsulfonylamino)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(methanesulfonamido)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(2-methylpropylsulfonylamino)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-(2-pyridin-4-ylethyl)carbamate

C154H188Cl7N43O26S6 — CID 157299016

IUPAC4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(benzenesulfonamido)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(cyclohexylsulfonylamino)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonylphenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(cyclopropylsulfonylamino)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(methanesulfonamido)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(2-methylpropylsulfonylamino)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-(2-pyridin-4-ylethyl)carbamate
SMILESCc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCCc1ccncc1.Cc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1ccc(NS(=O)(=O)C2CC2)cc1.Cc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1ccc(NS(=O)(=O)C2CCCCC2)cc1.Cc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1ccc(NS(=O)(=O)CC(C)C)cc1.Cc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1ccc(NS(=O)(=O)c2ccccc2)cc1.Cc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1ccc(NS(C)(=O)=O)cc1.Cc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1ccc(S(=O)(=O)N2CCN(CC3CC3)CC2)cc1
InChIInChI=1S/C26H34ClN7O4S.C24H31ClN6O4S.C24H25ClN6O4S.C22H29ClN6O4S.C21H25ClN6O4S.C19H23ClN6O4S.C18H21ClN6O2/c1-19-23-24(31-25(27)30-19)33(18-29-23)10-2-3-15-38-26(35)28-16-20-6-8-22(9-7-20)39(36,37)34-13-11-32(12-14-34)17-21-4-5-21;2*1-17-21-22(29-23(25)28-17)31(16-27-21)13-5-6-14-35-24(32)26-15-18-9-11-19(12-10-18)30-36(33,34)20-7-3-2-4-8-20;1-15(2)13-34(31,32)28-18-8-6-17(7-9-18)12-24-22(30)33-11-5-4-10-29-14-25-19-16(3)26-21(23)27-20(19)29;1-14-18-19(26-20(22)25-14)28(13-24-18)10-2-3-11-32-21(29)23-12-15-4-6-16(7-5-15)27-33(30,31)17-8-9-17;1-13-16-17(24-18(20)23-13)26(12-22-16)9-3-4-10-30-19(27)21-11-14-5-7-15(8-6-14)25-31(2,28)29;1-13-15-16(24-17(19)23-13)25(12-22-15)10-2-3-11-27-18(26)21-9-6-14-4-7-20-8-5-14/h6-9,18,21H,2-5,10-17H2,1H3,(H,28,35);9-12,16,20,30H,2-8,13-15H2,1H3,(H,26,32);2-4,7-12,16,30H,5-6,13-15H2,1H3,(H,26,32);6-9,14-15,28H,4-5,10-13H2,1-3H3,(H,24,30);4-7,13,17,27H,2-3,8-12H2,1H3,(H,23,29);5-8,12,25H,3-4,9-11H2,1-2H3,(H,21,27);4-5,7-8,12H,2-3,6,9-11H2,1H3,(H,21,26)
InChIKeyBBRGDOBVYNLUKH-UHFFFAOYSA-N
MW3498.05 g/mol
LogP25.17
Rot. Bonds69

About 4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(benzenesulfonamido)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(cyclohexylsulfonylamino)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonylphenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(cyclopropylsulfonylamino)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(methanesulfonamido)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(2-methylpropylsulfonylamino)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-(2-pyridin-4-ylethyl)carbamate

4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(benzenesulfonamido)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(cyclohexylsulfonylamino)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonylphenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(cyclopropylsulfonylamino)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(methanesulfonamido)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(2-methylpropylsulfonylamino)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-(2-pyridin-4-ylethyl)carbamate (PubChem CID 157299016) has the molecular formula C154H188Cl7N43O26S6 and a molecular weight of 3498.05 g/mol. Its IUPAC name is 4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(benzenesulfonamido)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(cyclohexylsulfonylamino)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonylphenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(cyclopropylsulfonylamino)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(methanesulfonamido)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(2-methylpropylsulfonylamino)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-(2-pyridin-4-ylethyl)carbamate.

Molecular Properties

Compound Name4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(benzenesulfonamido)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(cyclohexylsulfonylamino)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonylphenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(cyclopropylsulfonylamino)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(methanesulfonamido)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(2-methylpropylsulfonylamino)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-(2-pyridin-4-ylethyl)carbamate
PubChem CID157299016
Molecular FormulaC154H188Cl7N43O26S6
Molecular Weight3498.05 g/mol
Exact Mass3492.09
IUPAC Name4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(benzenesulfonamido)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(cyclohexylsulfonylamino)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonylphenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(cyclopropylsulfonylamino)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(methanesulfonamido)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(2-methylpropylsulfonylamino)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-(2-pyridin-4-ylethyl)carbamate
SMILESCc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCCc1ccncc1.Cc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1ccc(NS(=O)(=O)C2CC2)cc1.Cc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1ccc(NS(=O)(=O)C2CCCCC2)cc1.Cc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1ccc(NS(=O)(=O)CC(C)C)cc1.Cc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1ccc(NS(=O)(=O)c2ccccc2)cc1.Cc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1ccc(NS(C)(=O)=O)cc1.Cc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1ccc(S(=O)(=O)N2CCN(CC3CC3)CC2)cc1
InChIInChI=1S/C26H34ClN7O4S.C24H31ClN6O4S.C24H25ClN6O4S.C22H29ClN6O4S.C21H25ClN6O4S.C19H23ClN6O4S.C18H21ClN6O2/c1-19-23-24(31-25(27)30-19)33(18-29-23)10-2-3-15-38-26(35)28-16-20-6-8-22(9-7-20)39(36,37)34-13-11-32(12-14-34)17-21-4-5-21;2*1-17-21-22(29-23(25)28-17)31(16-27-21)13-5-6-14-35-24(32)26-15-18-9-11-19(12-10-18)30-36(33,34)20-7-3-2-4-8-20;1-15(2)13-34(31,32)28-18-8-6-17(7-9-18)12-24-22(30)33-11-5-4-10-29-14-25-19-16(3)26-21(23)27-20(19)29;1-14-18-19(26-20(22)25-14)28(13-24-18)10-2-3-11-32-21(29)23-12-15-4-6-16(7-5-15)27-33(30,31)17-8-9-17;1-13-16-17(24-18(20)23-13)26(12-22-16)9-3-4-10-30-19(27)21-11-14-5-7-15(8-6-14)25-31(2,28)29;1-13-15-16(24-17(19)23-13)25(12-22-15)10-2-3-11-27-18(26)21-9-6-14-4-7-20-8-5-14/h6-9,18,21H,2-5,10-17H2,1H3,(H,28,35);9-12,16,20,30H,2-8,13-15H2,1H3,(H,26,32);2-4,7-12,16,30H,5-6,13-15H2,1H3,(H,26,32);6-9,14-15,28H,4-5,10-13H2,1-3H3,(H,24,30);4-7,13,17,27H,2-3,8-12H2,1H3,(H,23,29);5-8,12,25H,3-4,9-11H2,1-2H3,(H,21,27);4-5,7-8,12H,2-3,6,9-11H2,1H3,(H,21,26)
InChIKeyBBRGDOBVYNLUKH-UHFFFAOYSA-N
XLogP25.17
TPSA857.87 Ų
H-Bond Donors12
H-Bond Acceptors56
Rotatable Bonds69
Heavy Atoms236
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003498.05
LogP ≤ 525.17
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1056

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(benzenesulfonamido)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(cyclohexylsulfonylamino)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonylphenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(cyclopropylsulfonylamino)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(methanesulfonamido)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(2-methylpropylsulfonylamino)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-(2-pyridin-4-ylethyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-(cyclopropylsulfonylamino)phenyl]methyl]carbamate
CID 138609662
4-(2-chloro-6-methylpurin-9-yl)butyl N-[(2-phenylimidazo[1,2-a]pyridin-6-yl)methyl]carbamate
CID 158847938
4-(6-amino-2-propan-2-yloxypurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate
CID 138611466
2-[4-(phenylsulfamoyl)phenoxy]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43875012
4-(methanesulfonamido)-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzenesulfonamide
CID 30126367
N-[4-[2-(cyclopropylmethylamino)ethyl]phenyl]-4-propan-2-ylbenzenesulfonamide
CID 67419833
4-[[4-[4-[(cyclopropylsulfonylamino)methyl]anilino]-5-methylpyrimidin-2-yl]amino]-N-phenylbenzenesulfonamide
CID 69264037
N-[4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]benzenesulfonamide
CID 46943286
phenyl N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]carbamate
CID 108736618
N-[4-[2-(cyclopropylmethylamino)ethyl]phenyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride
CID 69242109
2-[(4-chlorophenyl)methyl-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoyl]amino]-N-(pyridin-4-ylmethyl)propanamide
CID 133149223
2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43875034

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(benzenesulfonamido)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(cyclohexylsulfonylamino)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonylphenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(cyclopropylsulfonylamino)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(methanesulfonamido)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(2-methylpropylsulfonylamino)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-(2-pyridin-4-ylethyl)carbamate?
The IUPAC name of 4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(benzenesulfonamido)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(cyclohexylsulfonylamino)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonylphenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(cyclopropylsulfonylamino)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(methanesulfonamido)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(2-methylpropylsulfonylamino)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-(2-pyridin-4-ylethyl)carbamate (CID 157299016) is 4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(benzenesulfonamido)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(cyclohexylsulfonylamino)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonylphenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(cyclopropylsulfonylamino)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(methanesulfonamido)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(2-methylpropylsulfonylamino)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-(2-pyridin-4-ylethyl)carbamate.
What is the SMILES notation for 4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(benzenesulfonamido)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(cyclohexylsulfonylamino)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonylphenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(cyclopropylsulfonylamino)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(methanesulfonamido)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(2-methylpropylsulfonylamino)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-(2-pyridin-4-ylethyl)carbamate?
The canonical SMILES for 4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(benzenesulfonamido)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(cyclohexylsulfonylamino)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonylphenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(cyclopropylsulfonylamino)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(methanesulfonamido)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(2-methylpropylsulfonylamino)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-(2-pyridin-4-ylethyl)carbamate is Cc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCCc1ccncc1.Cc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1ccc(NS(=O)(=O)C2CC2)cc1.Cc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1ccc(NS(=O)(=O)C2CCCCC2)cc1.Cc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1ccc(NS(=O)(=O)CC(C)C)cc1.Cc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1ccc(NS(=O)(=O)c2ccccc2)cc1.Cc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1ccc(NS(C)(=O)=O)cc1.Cc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1ccc(S(=O)(=O)N2CCN(CC3CC3)CC2)cc1.
What is the InChIKey of 4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(benzenesulfonamido)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(cyclohexylsulfonylamino)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonylphenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(cyclopropylsulfonylamino)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(methanesulfonamido)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(2-methylpropylsulfonylamino)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-(2-pyridin-4-ylethyl)carbamate?
The InChIKey is BBRGDOBVYNLUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34ClN7O4S.C24H31ClN6O4S.C24H25ClN6O4S.C22H29ClN6O4S.C21H25ClN6O4S.C19H23ClN6O4S.C18H21ClN6O2/c1-19-23-24(31-25(27)30-19)33(18-29-23)10-2-3-15-38-26(35)28-16-20-6-8-22(9-7-20)39(36,37)34-13-11-32(12-14-34)17-21-4-5-21;2*1-17-21-22(29-23(25)28-17)31(16-27-21)13-5-6-14-35-24(32)26-15-18-9-11-19(12-10-18)30-36(33,34)20-7-3-2-4-8-20;1-15(2)13-34(31,32)28-18-8-6-17(7-9-18)12-24-22(30)33-11-5-4-10-29-14-25-19-16(3)26-21(23)27-20(19)29;1-14-18-19(26-20(22)25-14)28(13-24-18)10-2-3-11-32-21(29)23-12-15-4-6-16(7-5-15)27-33(30,31)17-8-9-17;1-13-16-17(24-18(20)23-13)26(12-22-16)9-3-4-10-30-19(27)21-11-14-5-7-15(8-6-14)25-31(2,28)29;1-13-15-16(24-17(19)23-13)25(12-22-15)10-2-3-11-27-18(26)21-9-6-14-4-7-20-8-5-14/h6-9,18,21H,2-5,10-17H2,1H3,(H,28,35);9-12,16,20,30H,2-8,13-15H2,1H3,(H,26,32);2-4,7-12,16,30H,5-6,13-15H2,1H3,(H,26,32);6-9,14-15,28H,4-5,10-13H2,1-3H3,(H,24,30);4-7,13,17,27H,2-3,8-12H2,1H3,(H,23,29);5-8,12,25H,3-4,9-11H2,1-2H3,(H,21,27);4-5,7-8,12H,2-3,6,9-11H2,1H3,(H,21,26).
What are the key properties of 4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(benzenesulfonamido)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(cyclohexylsulfonylamino)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonylphenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(cyclopropylsulfonylamino)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(methanesulfonamido)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(2-methylpropylsulfonylamino)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-(2-pyridin-4-ylethyl)carbamate?
4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(benzenesulfonamido)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(cyclohexylsulfonylamino)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonylphenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(cyclopropylsulfonylamino)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(methanesulfonamido)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(2-methylpropylsulfonylamino)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-(2-pyridin-4-ylethyl)carbamate has a molecular weight of 3498.05 g/mol, XLogP of 25.17, 69 rotatable bonds, 12 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(benzenesulfonamido)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(cyclohexylsulfonylamino)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonylphenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(cyclopropylsulfonylamino)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(methanesulfonamido)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(2-methylpropylsulfonylamino)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-(2-pyridin-4-ylethyl)carbamate is sourced from PubChem (CID 157299016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).