(7R,10R)-15-chloro-16-methyl-5,7,10-tri(propan-2-yl)-2-oxa-5,8,11-triazabicyclo[11.4.0]heptadeca-1(13),14,16-triene-6,9,12-trione

C23H34ClN3O4 — CID 110062599

IUPAC(7R,10R)-15-chloro-16-methyl-5,7,10-tri(propan-2-yl)-2-oxa-5,8,11-triazabicyclo[11.4.0]heptadeca-1(13),14,16-triene-6,9,12-trione
SMILESCc1cc2c(cc1Cl)C(=O)N[C@H](C(C)C)C(=O)NC(C(C)C)C(=O)N(C(C)C)CCO2
InChIInChI=1S/C23H34ClN3O4/c1-12(2)19-22(29)26-20(13(3)4)23(30)27(14(5)6)8-9-31-18-10-15(7)17(24)11-16(18)21(28)25-19/h10-14,19-20H,8-9H2,1-7H3,(H,25,28)(H,26,29)/t19-,20?/m1/s1
InChIKeyWRKZRZKYCLMSKW-FIWHBWSRSA-N
MW452.00 g/mol
LogP3.17
Rot. Bonds3

About (7R,10R)-15-chloro-16-methyl-5,7,10-tri(propan-2-yl)-2-oxa-5,8,11-triazabicyclo[11.4.0]heptadeca-1(13),14,16-triene-6,9,12-trione

(7R,10R)-15-chloro-16-methyl-5,7,10-tri(propan-2-yl)-2-oxa-5,8,11-triazabicyclo[11.4.0]heptadeca-1(13),14,16-triene-6,9,12-trione (PubChem CID 110062599) has the molecular formula C23H34ClN3O4 and a molecular weight of 452.00 g/mol. Its IUPAC name is (7R,10R)-15-chloro-16-methyl-5,7,10-tri(propan-2-yl)-2-oxa-5,8,11-triazabicyclo[11.4.0]heptadeca-1(13),14,16-triene-6,9,12-trione.

Molecular Properties

Compound Name(7R,10R)-15-chloro-16-methyl-5,7,10-tri(propan-2-yl)-2-oxa-5,8,11-triazabicyclo[11.4.0]heptadeca-1(13),14,16-triene-6,9,12-trione
PubChem CID110062599
Molecular FormulaC23H34ClN3O4
Molecular Weight452.00 g/mol
Exact Mass451.22
IUPAC Name(7R,10R)-15-chloro-16-methyl-5,7,10-tri(propan-2-yl)-2-oxa-5,8,11-triazabicyclo[11.4.0]heptadeca-1(13),14,16-triene-6,9,12-trione
SMILESCc1cc2c(cc1Cl)C(=O)N[C@H](C(C)C)C(=O)NC(C(C)C)C(=O)N(C(C)C)CCO2
InChIInChI=1S/C23H34ClN3O4/c1-12(2)19-22(29)26-20(13(3)4)23(30)27(14(5)6)8-9-31-18-10-15(7)17(24)11-16(18)21(28)25-19/h10-14,19-20H,8-9H2,1-7H3,(H,25,28)(H,26,29)/t19-,20?/m1/s1
InChIKeyWRKZRZKYCLMSKW-FIWHBWSRSA-N
XLogP3.17
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.00
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (7R,10R)-15-chloro-16-methyl-5,7,10-tri(propan-2-yl)-2-oxa-5,8,11-triazabicyclo[11.4.0]heptadeca-1(13),14,16-triene-6,9,12-trione 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 (7R,10R)-15-chloro-16-methyl-5,7,10-tri(propan-2-yl)-2-oxa-5,8,11-triazabicyclo[11.4.0]heptadeca-1(13),14,16-triene-6,9,12-trione?
The IUPAC name of (7R,10R)-15-chloro-16-methyl-5,7,10-tri(propan-2-yl)-2-oxa-5,8,11-triazabicyclo[11.4.0]heptadeca-1(13),14,16-triene-6,9,12-trione (CID 110062599) is (7R,10R)-15-chloro-16-methyl-5,7,10-tri(propan-2-yl)-2-oxa-5,8,11-triazabicyclo[11.4.0]heptadeca-1(13),14,16-triene-6,9,12-trione.
What is the SMILES notation for (7R,10R)-15-chloro-16-methyl-5,7,10-tri(propan-2-yl)-2-oxa-5,8,11-triazabicyclo[11.4.0]heptadeca-1(13),14,16-triene-6,9,12-trione?
The canonical SMILES for (7R,10R)-15-chloro-16-methyl-5,7,10-tri(propan-2-yl)-2-oxa-5,8,11-triazabicyclo[11.4.0]heptadeca-1(13),14,16-triene-6,9,12-trione is Cc1cc2c(cc1Cl)C(=O)N[C@H](C(C)C)C(=O)NC(C(C)C)C(=O)N(C(C)C)CCO2.
What is the InChIKey of (7R,10R)-15-chloro-16-methyl-5,7,10-tri(propan-2-yl)-2-oxa-5,8,11-triazabicyclo[11.4.0]heptadeca-1(13),14,16-triene-6,9,12-trione?
The InChIKey is WRKZRZKYCLMSKW-FIWHBWSRSA-N. The full InChI is InChI=1S/C23H34ClN3O4/c1-12(2)19-22(29)26-20(13(3)4)23(30)27(14(5)6)8-9-31-18-10-15(7)17(24)11-16(18)21(28)25-19/h10-14,19-20H,8-9H2,1-7H3,(H,25,28)(H,26,29)/t19-,20?/m1/s1.
What are the key properties of (7R,10R)-15-chloro-16-methyl-5,7,10-tri(propan-2-yl)-2-oxa-5,8,11-triazabicyclo[11.4.0]heptadeca-1(13),14,16-triene-6,9,12-trione?
(7R,10R)-15-chloro-16-methyl-5,7,10-tri(propan-2-yl)-2-oxa-5,8,11-triazabicyclo[11.4.0]heptadeca-1(13),14,16-triene-6,9,12-trione has a molecular weight of 452.00 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,10R)-15-chloro-16-methyl-5,7,10-tri(propan-2-yl)-2-oxa-5,8,11-triazabicyclo[11.4.0]heptadeca-1(13),14,16-triene-6,9,12-trione is sourced from PubChem (CID 110062599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).