[4-bromo-2-[[(E)-2-cyclohexyl-1-(cyclohexylamino)ethenyl]sulfanylmethyl]phenyl]methyl N,N'-dicyclohexylcarbamimidothioate;6-[[4-bromo-2-[[3-(2-cyclohexylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-(2-cyclohexylethyl)-2,4-dihydro-1H-1,3,5-triazine;S-[[2-[[N'-(3-chloro-4-fluorophenyl)carbamimidoyl]sulfanylmethyl]phenyl]methyl] carbamothioate;6-[[4,5-dichloro-2-[[3-[(3,4-dichlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-[(3,4-dichlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazine;[2-[(N,N'-dicyclohexylcarbamimidoyl)sulfanylmethyl]phenyl]methyl N,2-dicyclohexylethanimidothioate

C144H197Br2Cl7FN21OS10 — CID 167603518

IUPAC[4-bromo-2-[[(E)-2-cyclohexyl-1-(cyclohexylamino)ethenyl]sulfanylmethyl]phenyl]methyl N,N'-dicyclohexylcarbamimidothioate;6-[[4-bromo-2-[[3-(2-cyclohexylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-(2-cyclohexylethyl)-2,4-dihydro-1H-1,3,5-triazine;S-[[2-[[N'-(3-chloro-4-fluorophenyl)carbamimidoyl]sulfanylmethyl]phenyl]methyl] carbamothioate;6-[[4,5-dichloro-2-[[3-[(3,4-dichlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-[(3,4-dichlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazine;[2-[(N,N'-dicyclohexylcarbamimidoyl)sulfanylmethyl]phenyl]methyl N,2-dicyclohexylethanimidothioate
SMILESBrc1ccc(CS/C(=N\C2CCCCC2)NC2CCCCC2)c(CS/C(=C/C2CCCCC2)NC2CCCCC2)c1.Brc1ccc(CSC2=NCN(CCC3CCCCC3)CN2)c(CSC2=NCN(CCC3CCCCC3)CN2)c1.Clc1ccc(CN2CN=C(SCc3cc(Cl)c(Cl)cc3CSC3=NCN(Cc4ccc(Cl)c(Cl)c4)CN3)NC2)cc1Cl.NC(=O)SCc1ccccc1CS/C(N)=N/c1ccc(F)c(Cl)c1.c1ccc(CS/C(CC2CCCCC2)=N/C2CCCCC2)c(CS/C(=N\C2CCCCC2)NC2CCCCC2)c1
InChIInChI=1S/C35H54BrN3S2.C35H55N3S2.C30H47BrN6S2.C28H26Cl6N6S2.C16H15ClFN3OS2/c36-30-22-21-28(25-41-35(38-32-17-9-3-10-18-32)39-33-19-11-4-12-20-33)29(24-30)26-40-34(23-27-13-5-1-6-14-27)37-31-15-7-2-8-16-31;1-5-15-28(16-6-1)25-34(36-31-19-7-2-8-20-31)39-26-29-17-13-14-18-30(29)27-40-35(37-32-21-9-3-10-22-32)38-33-23-11-4-12-24-33;31-28-12-11-26(18-38-29-32-20-36(21-33-29)15-13-24-7-3-1-4-8-24)27(17-28)19-39-30-34-22-37(23-35-30)16-14-25-9-5-2-6-10-25;29-21-3-1-17(5-23(21)31)9-39-13-35-27(36-14-39)41-11-19-7-25(33)26(34)8-20(19)12-42-28-37-15-40(16-38-28)10-18-2-4-22(30)24(32)6-18;17-13-7-12(5-6-14(13)18)21-15(19)23-8-10-3-1-2-4-11(10)9-24-16(20)22/h21-24,27,31-33,37H,1-20,25-26H2,(H,38,39);13-14,17-18,28,31-33H,1-12,15-16,19-27H2,(H,37,38);11-12,17,24-25H,1-10,13-16,18-23H2,(H,32,33)(H,34,35);1-8H,9-16H2,(H,35,36)(H,37,38);1-7H,8-9H2,(H2,19,21)(H2,20,22)/b34-23+;36-34+;;;
InChIKeyKBIPULOICHDANX-OBMDDVSESA-N
MW2985.95 g/mol
LogP42.04
Rot. Bonds42

About [4-bromo-2-[[(E)-2-cyclohexyl-1-(cyclohexylamino)ethenyl]sulfanylmethyl]phenyl]methyl N,N'-dicyclohexylcarbamimidothioate;6-[[4-bromo-2-[[3-(2-cyclohexylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-(2-cyclohexylethyl)-2,4-dihydro-1H-1,3,5-triazine;S-[[2-[[N'-(3-chloro-4-fluorophenyl)carbamimidoyl]sulfanylmethyl]phenyl]methyl] carbamothioate;6-[[4,5-dichloro-2-[[3-[(3,4-dichlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-[(3,4-dichlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazine;[2-[(N,N'-dicyclohexylcarbamimidoyl)sulfanylmethyl]phenyl]methyl N,2-dicyclohexylethanimidothioate

[4-bromo-2-[[(E)-2-cyclohexyl-1-(cyclohexylamino)ethenyl]sulfanylmethyl]phenyl]methyl N,N'-dicyclohexylcarbamimidothioate;6-[[4-bromo-2-[[3-(2-cyclohexylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-(2-cyclohexylethyl)-2,4-dihydro-1H-1,3,5-triazine;S-[[2-[[N'-(3-chloro-4-fluorophenyl)carbamimidoyl]sulfanylmethyl]phenyl]methyl] carbamothioate;6-[[4,5-dichloro-2-[[3-[(3,4-dichlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-[(3,4-dichlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazine;[2-[(N,N'-dicyclohexylcarbamimidoyl)sulfanylmethyl]phenyl]methyl N,2-dicyclohexylethanimidothioate (PubChem CID 167603518) has the molecular formula C144H197Br2Cl7FN21OS10 and a molecular weight of 2985.95 g/mol. Its IUPAC name is [4-bromo-2-[[(E)-2-cyclohexyl-1-(cyclohexylamino)ethenyl]sulfanylmethyl]phenyl]methyl N,N'-dicyclohexylcarbamimidothioate;6-[[4-bromo-2-[[3-(2-cyclohexylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-(2-cyclohexylethyl)-2,4-dihydro-1H-1,3,5-triazine;S-[[2-[[N'-(3-chloro-4-fluorophenyl)carbamimidoyl]sulfanylmethyl]phenyl]methyl] carbamothioate;6-[[4,5-dichloro-2-[[3-[(3,4-dichlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-[(3,4-dichlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazine;[2-[(N,N'-dicyclohexylcarbamimidoyl)sulfanylmethyl]phenyl]methyl N,2-dicyclohexylethanimidothioate.

Molecular Properties

Compound Name[4-bromo-2-[[(E)-2-cyclohexyl-1-(cyclohexylamino)ethenyl]sulfanylmethyl]phenyl]methyl N,N'-dicyclohexylcarbamimidothioate;6-[[4-bromo-2-[[3-(2-cyclohexylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-(2-cyclohexylethyl)-2,4-dihydro-1H-1,3,5-triazine;S-[[2-[[N'-(3-chloro-4-fluorophenyl)carbamimidoyl]sulfanylmethyl]phenyl]methyl] carbamothioate;6-[[4,5-dichloro-2-[[3-[(3,4-dichlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-[(3,4-dichlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazine;[2-[(N,N'-dicyclohexylcarbamimidoyl)sulfanylmethyl]phenyl]methyl N,2-dicyclohexylethanimidothioate
PubChem CID167603518
Molecular FormulaC144H197Br2Cl7FN21OS10
Molecular Weight2985.95 g/mol
Exact Mass2977.94
IUPAC Name[4-bromo-2-[[(E)-2-cyclohexyl-1-(cyclohexylamino)ethenyl]sulfanylmethyl]phenyl]methyl N,N'-dicyclohexylcarbamimidothioate;6-[[4-bromo-2-[[3-(2-cyclohexylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-(2-cyclohexylethyl)-2,4-dihydro-1H-1,3,5-triazine;S-[[2-[[N'-(3-chloro-4-fluorophenyl)carbamimidoyl]sulfanylmethyl]phenyl]methyl] carbamothioate;6-[[4,5-dichloro-2-[[3-[(3,4-dichlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-[(3,4-dichlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazine;[2-[(N,N'-dicyclohexylcarbamimidoyl)sulfanylmethyl]phenyl]methyl N,2-dicyclohexylethanimidothioate
SMILESBrc1ccc(CS/C(=N\C2CCCCC2)NC2CCCCC2)c(CS/C(=C/C2CCCCC2)NC2CCCCC2)c1.Brc1ccc(CSC2=NCN(CCC3CCCCC3)CN2)c(CSC2=NCN(CCC3CCCCC3)CN2)c1.Clc1ccc(CN2CN=C(SCc3cc(Cl)c(Cl)cc3CSC3=NCN(Cc4ccc(Cl)c(Cl)c4)CN3)NC2)cc1Cl.NC(=O)SCc1ccccc1CS/C(N)=N/c1ccc(F)c(Cl)c1.c1ccc(CS/C(CC2CCCCC2)=N/C2CCCCC2)c(CS/C(=N\C2CCCCC2)NC2CCCCC2)c1
InChIInChI=1S/C35H54BrN3S2.C35H55N3S2.C30H47BrN6S2.C28H26Cl6N6S2.C16H15ClFN3OS2/c36-30-22-21-28(25-41-35(38-32-17-9-3-10-18-32)39-33-19-11-4-12-20-33)29(24-30)26-40-34(23-27-13-5-1-6-14-27)37-31-15-7-2-8-16-31;1-5-15-28(16-6-1)25-34(36-31-19-7-2-8-20-31)39-26-29-17-13-14-18-30(29)27-40-35(37-32-21-9-3-10-22-32)38-33-23-11-4-12-24-33;31-28-12-11-26(18-38-29-32-20-36(21-33-29)15-13-24-7-3-1-4-8-24)27(17-28)19-39-30-34-22-37(23-35-30)16-14-25-9-5-2-6-10-25;29-21-3-1-17(5-23(21)31)9-39-13-35-27(36-14-39)41-11-19-7-25(33)26(34)8-20(19)12-42-28-37-15-40(16-38-28)10-18-2-4-22(30)24(32)6-18;17-13-7-12(5-6-14(13)18)21-15(19)23-8-10-3-1-2-4-11(10)9-24-16(20)22/h21-24,27,31-33,37H,1-20,25-26H2,(H,38,39);13-14,17-18,28,31-33H,1-12,15-16,19-27H2,(H,37,38);11-12,17,24-25H,1-10,13-16,18-23H2,(H,32,33)(H,34,35);1-8H,9-16H2,(H,35,36)(H,37,38);1-7H,8-9H2,(H2,19,21)(H2,20,22)/b34-23+;36-34+;;;
InChIKeyKBIPULOICHDANX-OBMDDVSESA-N
XLogP42.04
TPSA265.16 Ų
H-Bond Donors9
H-Bond Acceptors28
Rotatable Bonds42
Heavy Atoms186
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002985.95
LogP ≤ 542.04
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze [4-bromo-2-[[(E)-2-cyclohexyl-1-(cyclohexylamino)ethenyl]sulfanylmethyl]phenyl]methyl N,N'-dicyclohexylcarbamimidothioate;6-[[4-bromo-2-[[3-(2-cyclohexylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-(2-cyclohexylethyl)-2,4-dihydro-1H-1,3,5-triazine;S-[[2-[[N'-(3-chloro-4-fluorophenyl)carbamimidoyl]sulfanylmethyl]phenyl]methyl] carbamothioate;6-[[4,5-dichloro-2-[[3-[(3,4-dichlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-[(3,4-dichlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazine;[2-[(N,N'-dicyclohexylcarbamimidoyl)sulfanylmethyl]phenyl]methyl N,2-dicyclohexylethanimidothioate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-[[(E)-2-cyclohexyl-1-(cyclohexylamino)ethenyl]sulfanylmethyl]phenyl]methyl N,N'-dicyclohexylcarbamimidothioate;6-[[4-bromo-2-[[3-(2-cyclohexylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-(2-cyclohexylethyl)-2,4-dihydro-1H-1,3,5-triazine;S-[[2-[[N'-(3-chloro-4-fluorophenyl)carbamimidoyl]sulfanylmethyl]phenyl]methyl] carbamothioate;6-[[4,5-dichloro-2-[[3-[(3,4-dichlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-[(3,4-dichlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazine;[2-[(N,N'-dicyclohexylcarbamimidoyl)sulfanylmethyl]phenyl]methyl N,2-dicyclohexylethanimidothioate?
The IUPAC name of [4-bromo-2-[[(E)-2-cyclohexyl-1-(cyclohexylamino)ethenyl]sulfanylmethyl]phenyl]methyl N,N'-dicyclohexylcarbamimidothioate;6-[[4-bromo-2-[[3-(2-cyclohexylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-(2-cyclohexylethyl)-2,4-dihydro-1H-1,3,5-triazine;S-[[2-[[N'-(3-chloro-4-fluorophenyl)carbamimidoyl]sulfanylmethyl]phenyl]methyl] carbamothioate;6-[[4,5-dichloro-2-[[3-[(3,4-dichlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-[(3,4-dichlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazine;[2-[(N,N'-dicyclohexylcarbamimidoyl)sulfanylmethyl]phenyl]methyl N,2-dicyclohexylethanimidothioate (CID 167603518) is [4-bromo-2-[[(E)-2-cyclohexyl-1-(cyclohexylamino)ethenyl]sulfanylmethyl]phenyl]methyl N,N'-dicyclohexylcarbamimidothioate;6-[[4-bromo-2-[[3-(2-cyclohexylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-(2-cyclohexylethyl)-2,4-dihydro-1H-1,3,5-triazine;S-[[2-[[N'-(3-chloro-4-fluorophenyl)carbamimidoyl]sulfanylmethyl]phenyl]methyl] carbamothioate;6-[[4,5-dichloro-2-[[3-[(3,4-dichlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-[(3,4-dichlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazine;[2-[(N,N'-dicyclohexylcarbamimidoyl)sulfanylmethyl]phenyl]methyl N,2-dicyclohexylethanimidothioate.
What is the SMILES notation for [4-bromo-2-[[(E)-2-cyclohexyl-1-(cyclohexylamino)ethenyl]sulfanylmethyl]phenyl]methyl N,N'-dicyclohexylcarbamimidothioate;6-[[4-bromo-2-[[3-(2-cyclohexylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-(2-cyclohexylethyl)-2,4-dihydro-1H-1,3,5-triazine;S-[[2-[[N'-(3-chloro-4-fluorophenyl)carbamimidoyl]sulfanylmethyl]phenyl]methyl] carbamothioate;6-[[4,5-dichloro-2-[[3-[(3,4-dichlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-[(3,4-dichlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazine;[2-[(N,N'-dicyclohexylcarbamimidoyl)sulfanylmethyl]phenyl]methyl N,2-dicyclohexylethanimidothioate?
The canonical SMILES for [4-bromo-2-[[(E)-2-cyclohexyl-1-(cyclohexylamino)ethenyl]sulfanylmethyl]phenyl]methyl N,N'-dicyclohexylcarbamimidothioate;6-[[4-bromo-2-[[3-(2-cyclohexylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-(2-cyclohexylethyl)-2,4-dihydro-1H-1,3,5-triazine;S-[[2-[[N'-(3-chloro-4-fluorophenyl)carbamimidoyl]sulfanylmethyl]phenyl]methyl] carbamothioate;6-[[4,5-dichloro-2-[[3-[(3,4-dichlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-[(3,4-dichlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazine;[2-[(N,N'-dicyclohexylcarbamimidoyl)sulfanylmethyl]phenyl]methyl N,2-dicyclohexylethanimidothioate is Brc1ccc(CS/C(=N\C2CCCCC2)NC2CCCCC2)c(CS/C(=C/C2CCCCC2)NC2CCCCC2)c1.Brc1ccc(CSC2=NCN(CCC3CCCCC3)CN2)c(CSC2=NCN(CCC3CCCCC3)CN2)c1.Clc1ccc(CN2CN=C(SCc3cc(Cl)c(Cl)cc3CSC3=NCN(Cc4ccc(Cl)c(Cl)c4)CN3)NC2)cc1Cl.NC(=O)SCc1ccccc1CS/C(N)=N/c1ccc(F)c(Cl)c1.c1ccc(CS/C(CC2CCCCC2)=N/C2CCCCC2)c(CS/C(=N\C2CCCCC2)NC2CCCCC2)c1.
What is the InChIKey of [4-bromo-2-[[(E)-2-cyclohexyl-1-(cyclohexylamino)ethenyl]sulfanylmethyl]phenyl]methyl N,N'-dicyclohexylcarbamimidothioate;6-[[4-bromo-2-[[3-(2-cyclohexylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-(2-cyclohexylethyl)-2,4-dihydro-1H-1,3,5-triazine;S-[[2-[[N'-(3-chloro-4-fluorophenyl)carbamimidoyl]sulfanylmethyl]phenyl]methyl] carbamothioate;6-[[4,5-dichloro-2-[[3-[(3,4-dichlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-[(3,4-dichlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazine;[2-[(N,N'-dicyclohexylcarbamimidoyl)sulfanylmethyl]phenyl]methyl N,2-dicyclohexylethanimidothioate?
The InChIKey is KBIPULOICHDANX-OBMDDVSESA-N. The full InChI is InChI=1S/C35H54BrN3S2.C35H55N3S2.C30H47BrN6S2.C28H26Cl6N6S2.C16H15ClFN3OS2/c36-30-22-21-28(25-41-35(38-32-17-9-3-10-18-32)39-33-19-11-4-12-20-33)29(24-30)26-40-34(23-27-13-5-1-6-14-27)37-31-15-7-2-8-16-31;1-5-15-28(16-6-1)25-34(36-31-19-7-2-8-20-31)39-26-29-17-13-14-18-30(29)27-40-35(37-32-21-9-3-10-22-32)38-33-23-11-4-12-24-33;31-28-12-11-26(18-38-29-32-20-36(21-33-29)15-13-24-7-3-1-4-8-24)27(17-28)19-39-30-34-22-37(23-35-30)16-14-25-9-5-2-6-10-25;29-21-3-1-17(5-23(21)31)9-39-13-35-27(36-14-39)41-11-19-7-25(33)26(34)8-20(19)12-42-28-37-15-40(16-38-28)10-18-2-4-22(30)24(32)6-18;17-13-7-12(5-6-14(13)18)21-15(19)23-8-10-3-1-2-4-11(10)9-24-16(20)22/h21-24,27,31-33,37H,1-20,25-26H2,(H,38,39);13-14,17-18,28,31-33H,1-12,15-16,19-27H2,(H,37,38);11-12,17,24-25H,1-10,13-16,18-23H2,(H,32,33)(H,34,35);1-8H,9-16H2,(H,35,36)(H,37,38);1-7H,8-9H2,(H2,19,21)(H2,20,22)/b34-23+;36-34+;;;.
What are the key properties of [4-bromo-2-[[(E)-2-cyclohexyl-1-(cyclohexylamino)ethenyl]sulfanylmethyl]phenyl]methyl N,N'-dicyclohexylcarbamimidothioate;6-[[4-bromo-2-[[3-(2-cyclohexylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-(2-cyclohexylethyl)-2,4-dihydro-1H-1,3,5-triazine;S-[[2-[[N'-(3-chloro-4-fluorophenyl)carbamimidoyl]sulfanylmethyl]phenyl]methyl] carbamothioate;6-[[4,5-dichloro-2-[[3-[(3,4-dichlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-[(3,4-dichlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazine;[2-[(N,N'-dicyclohexylcarbamimidoyl)sulfanylmethyl]phenyl]methyl N,2-dicyclohexylethanimidothioate?
[4-bromo-2-[[(E)-2-cyclohexyl-1-(cyclohexylamino)ethenyl]sulfanylmethyl]phenyl]methyl N,N'-dicyclohexylcarbamimidothioate;6-[[4-bromo-2-[[3-(2-cyclohexylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-(2-cyclohexylethyl)-2,4-dihydro-1H-1,3,5-triazine;S-[[2-[[N'-(3-chloro-4-fluorophenyl)carbamimidoyl]sulfanylmethyl]phenyl]methyl] carbamothioate;6-[[4,5-dichloro-2-[[3-[(3,4-dichlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-[(3,4-dichlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazine;[2-[(N,N'-dicyclohexylcarbamimidoyl)sulfanylmethyl]phenyl]methyl N,2-dicyclohexylethanimidothioate has a molecular weight of 2985.95 g/mol, XLogP of 42.04, 42 rotatable bonds, 9 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-2-[[(E)-2-cyclohexyl-1-(cyclohexylamino)ethenyl]sulfanylmethyl]phenyl]methyl N,N'-dicyclohexylcarbamimidothioate;6-[[4-bromo-2-[[3-(2-cyclohexylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-(2-cyclohexylethyl)-2,4-dihydro-1H-1,3,5-triazine;S-[[2-[[N'-(3-chloro-4-fluorophenyl)carbamimidoyl]sulfanylmethyl]phenyl]methyl] carbamothioate;6-[[4,5-dichloro-2-[[3-[(3,4-dichlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-[(3,4-dichlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazine;[2-[(N,N'-dicyclohexylcarbamimidoyl)sulfanylmethyl]phenyl]methyl N,2-dicyclohexylethanimidothioate is sourced from PubChem (CID 167603518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).