1'-Methyl-4',5-diphenyl-5,6,7,8,9,10-hexahydro-1,3-cycloheptapyrimidino[2,3-b]thiazole-2-spiro-3'-pyrrolidine-2'-spiro-3''-1H-indole-2'',3(2H,3''H)-dione

C34H32N4O2S — CID 139068532

IUPAC—
SMILESCN1C[C@H](c2ccccc2)[C@]2(SC3=NC4=C(CCCCC4)[C@@H](c4ccccc4)N3C2=O)[C@]12C(=O)Nc1ccccc12
InChIInChI=1S/C34H32N4O2S/c1-37-21-26(22-13-5-2-6-14-22)34(33(37)25-18-11-12-20-28(25)35-30(33)39)31(40)38-29(23-15-7-3-8-16-23)24-17-9-4-10-19-27(24)36-32(38)41-34/h2-3,5-8,11-16,18,20,26,29H,4,9-10,17,19,21H2,1H3,(H,35,39)/t26-,29-,33+,34-/m1/s1
InChIKeySEVUDDWBHRAVKY-CVZCQFEBSA-N
MW560.72 g/mol
LogP6.21
Rot. Bonds2

About 1'-Methyl-4',5-diphenyl-5,6,7,8,9,10-hexahydro-1,3-cycloheptapyrimidino[2,3-b]thiazole-2-spiro-3'-pyrrolidine-2'-spiro-3''-1H-indole-2'',3(2H,3''H)-dione

1'-Methyl-4',5-diphenyl-5,6,7,8,9,10-hexahydro-1,3-cycloheptapyrimidino[2,3-b]thiazole-2-spiro-3'-pyrrolidine-2'-spiro-3''-1H-indole-2'',3(2H,3''H)-dione (PubChem CID 139068532) has the molecular formula C34H32N4O2S and a molecular weight of 560.72 g/mol.

Molecular Properties

Compound Name1'-Methyl-4',5-diphenyl-5,6,7,8,9,10-hexahydro-1,3-cycloheptapyrimidino[2,3-b]thiazole-2-spiro-3'-pyrrolidine-2'-spiro-3''-1H-indole-2'',3(2H,3''H)-dione
PubChem CID139068532
Molecular FormulaC34H32N4O2S
Molecular Weight560.72 g/mol
Exact Mass560.22
IUPAC Name—
SMILESCN1C[C@H](c2ccccc2)[C@]2(SC3=NC4=C(CCCCC4)[C@@H](c4ccccc4)N3C2=O)[C@]12C(=O)Nc1ccccc12
InChIInChI=1S/C34H32N4O2S/c1-37-21-26(22-13-5-2-6-14-22)34(33(37)25-18-11-12-20-28(25)35-30(33)39)31(40)38-29(23-15-7-3-8-16-23)24-17-9-4-10-19-27(24)36-32(38)41-34/h2-3,5-8,11-16,18,20,26,29H,4,9-10,17,19,21H2,1H3,(H,35,39)/t26-,29-,33+,34-/m1/s1
InChIKeySEVUDDWBHRAVKY-CVZCQFEBSA-N
XLogP6.21
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.72
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1'-Methyl-4',5-diphenyl-5,6,7,8,9,10-hexahydro-1,3-cycloheptapyrimidino[2,3-b]thiazole-2-spiro-3'-pyrrolidine-2'-spiro-3''-1H-indole-2'',3(2H,3''H)-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1'-Methyl-4',5-diphenyl-5,6,7,8,9,10-hexahydro-1,3-cycloheptapyrimidino[2,3-b]thiazole-2-spiro-3'-pyrrolidine-2'-spiro-3''-1H-indole-2'',3(2H,3''H)-dione?
The IUPAC name of 1'-Methyl-4',5-diphenyl-5,6,7,8,9,10-hexahydro-1,3-cycloheptapyrimidino[2,3-b]thiazole-2-spiro-3'-pyrrolidine-2'-spiro-3''-1H-indole-2'',3(2H,3''H)-dione (CID 139068532) is not available.
What is the SMILES notation for 1'-Methyl-4',5-diphenyl-5,6,7,8,9,10-hexahydro-1,3-cycloheptapyrimidino[2,3-b]thiazole-2-spiro-3'-pyrrolidine-2'-spiro-3''-1H-indole-2'',3(2H,3''H)-dione?
The canonical SMILES for 1'-Methyl-4',5-diphenyl-5,6,7,8,9,10-hexahydro-1,3-cycloheptapyrimidino[2,3-b]thiazole-2-spiro-3'-pyrrolidine-2'-spiro-3''-1H-indole-2'',3(2H,3''H)-dione is CN1C[C@H](c2ccccc2)[C@]2(SC3=NC4=C(CCCCC4)[C@@H](c4ccccc4)N3C2=O)[C@]12C(=O)Nc1ccccc12.
What is the InChIKey of 1'-Methyl-4',5-diphenyl-5,6,7,8,9,10-hexahydro-1,3-cycloheptapyrimidino[2,3-b]thiazole-2-spiro-3'-pyrrolidine-2'-spiro-3''-1H-indole-2'',3(2H,3''H)-dione?
The InChIKey is SEVUDDWBHRAVKY-CVZCQFEBSA-N. The full InChI is InChI=1S/C34H32N4O2S/c1-37-21-26(22-13-5-2-6-14-22)34(33(37)25-18-11-12-20-28(25)35-30(33)39)31(40)38-29(23-15-7-3-8-16-23)24-17-9-4-10-19-27(24)36-32(38)41-34/h2-3,5-8,11-16,18,20,26,29H,4,9-10,17,19,21H2,1H3,(H,35,39)/t26-,29-,33+,34-/m1/s1.
What are the key properties of 1'-Methyl-4',5-diphenyl-5,6,7,8,9,10-hexahydro-1,3-cycloheptapyrimidino[2,3-b]thiazole-2-spiro-3'-pyrrolidine-2'-spiro-3''-1H-indole-2'',3(2H,3''H)-dione?
1'-Methyl-4',5-diphenyl-5,6,7,8,9,10-hexahydro-1,3-cycloheptapyrimidino[2,3-b]thiazole-2-spiro-3'-pyrrolidine-2'-spiro-3''-1H-indole-2'',3(2H,3''H)-dione has a molecular weight of 560.72 g/mol, XLogP of 6.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-Methyl-4',5-diphenyl-5,6,7,8,9,10-hexahydro-1,3-cycloheptapyrimidino[2,3-b]thiazole-2-spiro-3'-pyrrolidine-2'-spiro-3''-1H-indole-2'',3(2H,3''H)-dione is sourced from PubChem (CID 139068532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).