(5S,11R)-22-chloro-11-cyclohexyl-18-oxa-3,9,12,15-tetrazatricyclo[17.4.0.05,9]tricosa-1(19),20,22-triene-4,10,13,16-tetrone

C24H31ClN4O5 — CID 10435701

IUPAC(5S,11R)-22-chloro-11-cyclohexyl-18-oxa-3,9,12,15-tetrazatricyclo[17.4.0.05,9]tricosa-1(19),20,22-triene-4,10,13,16-tetrone
SMILESO=C1COc2ccc(Cl)cc2CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](C2CCCCC2)NC(=O)CN1
InChIInChI=1S/C24H31ClN4O5/c25-17-8-9-19-16(11-17)12-27-23(32)18-7-4-10-29(18)24(33)22(15-5-2-1-3-6-15)28-20(30)13-26-21(31)14-34-19/h8-9,11,15,18,22H,1-7,10,12-14H2,(H,26,31)(H,27,32)(H,28,30)/t18-,22+/m0/s1
InChIKeyXZWIFDZVMQYDHZ-PGRDOPGGSA-N
MW490.99 g/mol
LogP1.52
Rot. Bonds1

About (5S,11R)-22-chloro-11-cyclohexyl-18-oxa-3,9,12,15-tetrazatricyclo[17.4.0.05,9]tricosa-1(19),20,22-triene-4,10,13,16-tetrone

(5S,11R)-22-chloro-11-cyclohexyl-18-oxa-3,9,12,15-tetrazatricyclo[17.4.0.05,9]tricosa-1(19),20,22-triene-4,10,13,16-tetrone (PubChem CID 10435701) has the molecular formula C24H31ClN4O5 and a molecular weight of 490.99 g/mol. Its IUPAC name is (5S,11R)-22-chloro-11-cyclohexyl-18-oxa-3,9,12,15-tetrazatricyclo[17.4.0.05,9]tricosa-1(19),20,22-triene-4,10,13,16-tetrone.

Molecular Properties

Compound Name(5S,11R)-22-chloro-11-cyclohexyl-18-oxa-3,9,12,15-tetrazatricyclo[17.4.0.05,9]tricosa-1(19),20,22-triene-4,10,13,16-tetrone
PubChem CID10435701
Molecular FormulaC24H31ClN4O5
Molecular Weight490.99 g/mol
Exact Mass490.20
IUPAC Name(5S,11R)-22-chloro-11-cyclohexyl-18-oxa-3,9,12,15-tetrazatricyclo[17.4.0.05,9]tricosa-1(19),20,22-triene-4,10,13,16-tetrone
SMILESO=C1COc2ccc(Cl)cc2CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](C2CCCCC2)NC(=O)CN1
InChIInChI=1S/C24H31ClN4O5/c25-17-8-9-19-16(11-17)12-27-23(32)18-7-4-10-29(18)24(33)22(15-5-2-1-3-6-15)28-20(30)13-26-21(31)14-34-19/h8-9,11,15,18,22H,1-7,10,12-14H2,(H,26,31)(H,27,32)(H,28,30)/t18-,22+/m0/s1
InChIKeyXZWIFDZVMQYDHZ-PGRDOPGGSA-N
XLogP1.52
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.99
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (5S,11R)-22-chloro-11-cyclohexyl-18-oxa-3,9,12,15-tetrazatricyclo[17.4.0.05,9]tricosa-1(19),20,22-triene-4,10,13,16-tetrone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S,11R)-22-chloro-11-cyclohexyl-18-oxa-3,9,12,15-tetrazatricyclo[17.4.0.05,9]tricosa-1(19),20,22-triene-4,10,13,16-tetrone?
The IUPAC name of (5S,11R)-22-chloro-11-cyclohexyl-18-oxa-3,9,12,15-tetrazatricyclo[17.4.0.05,9]tricosa-1(19),20,22-triene-4,10,13,16-tetrone (CID 10435701) is (5S,11R)-22-chloro-11-cyclohexyl-18-oxa-3,9,12,15-tetrazatricyclo[17.4.0.05,9]tricosa-1(19),20,22-triene-4,10,13,16-tetrone.
What is the SMILES notation for (5S,11R)-22-chloro-11-cyclohexyl-18-oxa-3,9,12,15-tetrazatricyclo[17.4.0.05,9]tricosa-1(19),20,22-triene-4,10,13,16-tetrone?
The canonical SMILES for (5S,11R)-22-chloro-11-cyclohexyl-18-oxa-3,9,12,15-tetrazatricyclo[17.4.0.05,9]tricosa-1(19),20,22-triene-4,10,13,16-tetrone is O=C1COc2ccc(Cl)cc2CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](C2CCCCC2)NC(=O)CN1.
What is the InChIKey of (5S,11R)-22-chloro-11-cyclohexyl-18-oxa-3,9,12,15-tetrazatricyclo[17.4.0.05,9]tricosa-1(19),20,22-triene-4,10,13,16-tetrone?
The InChIKey is XZWIFDZVMQYDHZ-PGRDOPGGSA-N. The full InChI is InChI=1S/C24H31ClN4O5/c25-17-8-9-19-16(11-17)12-27-23(32)18-7-4-10-29(18)24(33)22(15-5-2-1-3-6-15)28-20(30)13-26-21(31)14-34-19/h8-9,11,15,18,22H,1-7,10,12-14H2,(H,26,31)(H,27,32)(H,28,30)/t18-,22+/m0/s1.
What are the key properties of (5S,11R)-22-chloro-11-cyclohexyl-18-oxa-3,9,12,15-tetrazatricyclo[17.4.0.05,9]tricosa-1(19),20,22-triene-4,10,13,16-tetrone?
(5S,11R)-22-chloro-11-cyclohexyl-18-oxa-3,9,12,15-tetrazatricyclo[17.4.0.05,9]tricosa-1(19),20,22-triene-4,10,13,16-tetrone has a molecular weight of 490.99 g/mol, XLogP of 1.52, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,11R)-22-chloro-11-cyclohexyl-18-oxa-3,9,12,15-tetrazatricyclo[17.4.0.05,9]tricosa-1(19),20,22-triene-4,10,13,16-tetrone is sourced from PubChem (CID 10435701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).