1-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfanyl)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfinyl)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfonyl)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfinyl]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indol-2-yl]phenyl]-3-propan-2-ylurea

C165H177N39O12S6 — CID 158131706

IUPAC1-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfanyl)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfinyl)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfonyl)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfinyl]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indol-2-yl]phenyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(S(=O)(=O)CCn4ccnc4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(S(=O)(=O)CCn4cncn4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(S(=O)CCn4ccnc4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(S(=O)CCn4cncn4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(SCCn4ccnc4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(SCCn4cncn4)cc3n2C2CCC2)cc1
InChIInChI=1S/C28H30N6O3S.C28H30N6O2S.C28H30N6OS.C27H29N7O3S.C27H29N7O2S.C27H29N7OS/c1-19(2)31-28(35)32-21-8-6-20(7-9-21)27-25(17-29)24-11-10-23(16-26(24)34(27)22-4-3-5-22)38(36,37)15-14-33-13-12-30-18-33;1-19(2)31-28(35)32-21-8-6-20(7-9-21)27-25(17-29)24-11-10-23(16-26(24)34(27)22-4-3-5-22)37(36)15-14-33-13-12-30-18-33;1-19(2)31-28(35)32-21-8-6-20(7-9-21)27-25(17-29)24-11-10-23(36-15-14-33-13-12-30-18-33)16-26(24)34(27)22-4-3-5-22;1-18(2)31-27(35)32-20-8-6-19(7-9-20)26-24(15-28)23-11-10-22(14-25(23)34(26)21-4-3-5-21)38(36,37)13-12-33-17-29-16-30-33;1-18(2)31-27(35)32-20-8-6-19(7-9-20)26-24(15-28)23-11-10-22(14-25(23)34(26)21-4-3-5-21)37(36)13-12-33-17-29-16-30-33;1-18(2)31-27(35)32-20-8-6-19(7-9-20)26-24(15-28)23-11-10-22(36-13-12-33-17-29-16-30-33)14-25(23)34(26)21-4-3-5-21/h6-13,16,18-19,22H,3-5,14-15H2,1-2H3,(H2,31,32,35);6-13,16,18-19,22H,3-5,14-15H2,1-2H3,(H2,31,32,35);6-13,16,18-19,22H,3-5,14-15H2,1-2H3,(H2,31,32,35);6-11,14,16-18,21H,3-5,12-13H2,1-2H3,(H2,31,32,35);6-11,14,16-18,21H,3-5,12-13H2,1-2H3,(H2,31,32,35);6-11,14,16-18,21H,3-5,12-13H2,1-2H3,(H2,31,32,35)
InChIKeyFSVVYCIVZZYCPT-UHFFFAOYSA-N
MW3090.89 g/mol
LogP32.12
Rot. Bonds48

About 1-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfanyl)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfinyl)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfonyl)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfinyl]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indol-2-yl]phenyl]-3-propan-2-ylurea

1-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfanyl)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfinyl)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfonyl)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfinyl]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indol-2-yl]phenyl]-3-propan-2-ylurea (PubChem CID 158131706) has the molecular formula C165H177N39O12S6 and a molecular weight of 3090.89 g/mol. Its IUPAC name is 1-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfanyl)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfinyl)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfonyl)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfinyl]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indol-2-yl]phenyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfanyl)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfinyl)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfonyl)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfinyl]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indol-2-yl]phenyl]-3-propan-2-ylurea
PubChem CID158131706
Molecular FormulaC165H177N39O12S6
Molecular Weight3090.89 g/mol
Exact Mass3088.28
IUPAC Name1-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfanyl)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfinyl)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfonyl)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfinyl]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indol-2-yl]phenyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(S(=O)(=O)CCn4ccnc4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(S(=O)(=O)CCn4cncn4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(S(=O)CCn4ccnc4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(S(=O)CCn4cncn4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(SCCn4ccnc4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(SCCn4cncn4)cc3n2C2CCC2)cc1
InChIInChI=1S/C28H30N6O3S.C28H30N6O2S.C28H30N6OS.C27H29N7O3S.C27H29N7O2S.C27H29N7OS/c1-19(2)31-28(35)32-21-8-6-20(7-9-21)27-25(17-29)24-11-10-23(16-26(24)34(27)22-4-3-5-22)38(36,37)15-14-33-13-12-30-18-33;1-19(2)31-28(35)32-21-8-6-20(7-9-21)27-25(17-29)24-11-10-23(16-26(24)34(27)22-4-3-5-22)37(36)15-14-33-13-12-30-18-33;1-19(2)31-28(35)32-21-8-6-20(7-9-21)27-25(17-29)24-11-10-23(36-15-14-33-13-12-30-18-33)16-26(24)34(27)22-4-3-5-22;1-18(2)31-27(35)32-20-8-6-19(7-9-20)26-24(15-28)23-11-10-22(14-25(23)34(26)21-4-3-5-21)38(36,37)13-12-33-17-29-16-30-33;1-18(2)31-27(35)32-20-8-6-19(7-9-20)26-24(15-28)23-11-10-22(14-25(23)34(26)21-4-3-5-21)37(36)13-12-33-17-29-16-30-33;1-18(2)31-27(35)32-20-8-6-19(7-9-20)26-24(15-28)23-11-10-22(36-13-12-33-17-29-16-30-33)14-25(23)34(26)21-4-3-5-21/h6-13,16,18-19,22H,3-5,14-15H2,1-2H3,(H2,31,32,35);6-13,16,18-19,22H,3-5,14-15H2,1-2H3,(H2,31,32,35);6-13,16,18-19,22H,3-5,14-15H2,1-2H3,(H2,31,32,35);6-11,14,16-18,21H,3-5,12-13H2,1-2H3,(H2,31,32,35);6-11,14,16-18,21H,3-5,12-13H2,1-2H3,(H2,31,32,35);6-11,14,16-18,21H,3-5,12-13H2,1-2H3,(H2,31,32,35)
InChIKeyFSVVYCIVZZYCPT-UHFFFAOYSA-N
XLogP32.12
TPSA667.11 Ų
H-Bond Donors12
H-Bond Acceptors41
Rotatable Bonds48
Heavy Atoms222
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003090.89
LogP ≤ 532.12
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1041

Analyze 1-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfanyl)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfinyl)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfonyl)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfinyl]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indol-2-yl]phenyl]-3-propan-2-ylurea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfanyl)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfinyl)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfonyl)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfinyl]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indol-2-yl]phenyl]-3-propan-2-ylurea?
The IUPAC name of 1-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfanyl)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfinyl)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfonyl)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfinyl]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indol-2-yl]phenyl]-3-propan-2-ylurea (CID 158131706) is 1-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfanyl)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfinyl)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfonyl)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfinyl]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indol-2-yl]phenyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfanyl)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfinyl)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfonyl)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfinyl]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indol-2-yl]phenyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfanyl)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfinyl)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfonyl)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfinyl]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indol-2-yl]phenyl]-3-propan-2-ylurea is CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(S(=O)(=O)CCn4ccnc4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(S(=O)(=O)CCn4cncn4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(S(=O)CCn4ccnc4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(S(=O)CCn4cncn4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(SCCn4ccnc4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(SCCn4cncn4)cc3n2C2CCC2)cc1.
What is the InChIKey of 1-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfanyl)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfinyl)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfonyl)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfinyl]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indol-2-yl]phenyl]-3-propan-2-ylurea?
The InChIKey is FSVVYCIVZZYCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O3S.C28H30N6O2S.C28H30N6OS.C27H29N7O3S.C27H29N7O2S.C27H29N7OS/c1-19(2)31-28(35)32-21-8-6-20(7-9-21)27-25(17-29)24-11-10-23(16-26(24)34(27)22-4-3-5-22)38(36,37)15-14-33-13-12-30-18-33;1-19(2)31-28(35)32-21-8-6-20(7-9-21)27-25(17-29)24-11-10-23(16-26(24)34(27)22-4-3-5-22)37(36)15-14-33-13-12-30-18-33;1-19(2)31-28(35)32-21-8-6-20(7-9-21)27-25(17-29)24-11-10-23(36-15-14-33-13-12-30-18-33)16-26(24)34(27)22-4-3-5-22;1-18(2)31-27(35)32-20-8-6-19(7-9-20)26-24(15-28)23-11-10-22(14-25(23)34(26)21-4-3-5-21)38(36,37)13-12-33-17-29-16-30-33;1-18(2)31-27(35)32-20-8-6-19(7-9-20)26-24(15-28)23-11-10-22(14-25(23)34(26)21-4-3-5-21)37(36)13-12-33-17-29-16-30-33;1-18(2)31-27(35)32-20-8-6-19(7-9-20)26-24(15-28)23-11-10-22(36-13-12-33-17-29-16-30-33)14-25(23)34(26)21-4-3-5-21/h6-13,16,18-19,22H,3-5,14-15H2,1-2H3,(H2,31,32,35);6-13,16,18-19,22H,3-5,14-15H2,1-2H3,(H2,31,32,35);6-13,16,18-19,22H,3-5,14-15H2,1-2H3,(H2,31,32,35);6-11,14,16-18,21H,3-5,12-13H2,1-2H3,(H2,31,32,35);6-11,14,16-18,21H,3-5,12-13H2,1-2H3,(H2,31,32,35);6-11,14,16-18,21H,3-5,12-13H2,1-2H3,(H2,31,32,35).
What are the key properties of 1-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfanyl)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfinyl)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfonyl)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfinyl]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indol-2-yl]phenyl]-3-propan-2-ylurea?
1-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfanyl)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfinyl)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfonyl)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfinyl]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indol-2-yl]phenyl]-3-propan-2-ylurea has a molecular weight of 3090.89 g/mol, XLogP of 32.12, 48 rotatable bonds, 12 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfanyl)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfinyl)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfonyl)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfinyl]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indol-2-yl]phenyl]-3-propan-2-ylurea is sourced from PubChem (CID 158131706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).