(1R)-2-(6-chloro-1,3-benzothiazol-2-yl)-1-(4-ethoxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C27H19ClN2O5S — CID 2031997

IUPAC(1R)-2-(6-chloro-1,3-benzothiazol-2-yl)-1-(4-ethoxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC
InChIInChI=1S/C27H19ClN2O5S/c1-3-34-19-11-8-14(12-20(19)33-2)23-22-24(31)16-6-4-5-7-18(16)35-25(22)26(32)30(23)27-29-17-10-9-15(28)13-21(17)36-27/h4-13,23H,3H2,1-2H3/t23-/m1/s1
InChIKeyQOUPOBVEWXFUAW-HSZRJFAPSA-N
MW518.98 g/mol
LogP6.21
Rot. Bonds5

About (1R)-2-(6-chloro-1,3-benzothiazol-2-yl)-1-(4-ethoxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1R)-2-(6-chloro-1,3-benzothiazol-2-yl)-1-(4-ethoxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 2031997) has the molecular formula C27H19ClN2O5S and a molecular weight of 518.98 g/mol. Its IUPAC name is (1R)-2-(6-chloro-1,3-benzothiazol-2-yl)-1-(4-ethoxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1R)-2-(6-chloro-1,3-benzothiazol-2-yl)-1-(4-ethoxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID2031997
Molecular FormulaC27H19ClN2O5S
Molecular Weight518.98 g/mol
Exact Mass518.07
IUPAC Name(1R)-2-(6-chloro-1,3-benzothiazol-2-yl)-1-(4-ethoxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC
InChIInChI=1S/C27H19ClN2O5S/c1-3-34-19-11-8-14(12-20(19)33-2)23-22-24(31)16-6-4-5-7-18(16)35-25(22)26(32)30(23)27-29-17-10-9-15(28)13-21(17)36-27/h4-13,23H,3H2,1-2H3/t23-/m1/s1
InChIKeyQOUPOBVEWXFUAW-HSZRJFAPSA-N
XLogP6.21
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.98
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (1R)-2-(6-chloro-1,3-benzothiazol-2-yl)-1-(4-ethoxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione with MolForge

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

Launch Full Analysis

Related Compounds

(1R)-2-(6-ethyl-1,3-benzothiazol-2-yl)-1-(4-hydroxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2035954
(1S)-2-(6-ethyl-1,3-benzothiazol-2-yl)-1-(4-hydroxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2035952
1-(4-hydroxy-3-methoxyphenyl)-2-(6-methoxy-1,3-benzothiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4899428
1-(4-ethoxy-3-methoxyphenyl)-2-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852168
(1S)-1-(2,3-dimethoxyphenyl)-2-(6-ethoxy-1,3-benzothiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41075134
(1R)-1-(3,4-dimethoxyphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 1236620
(1S)-7-chloro-2-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(3-methoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2067920
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethoxy-3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4707950
2-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(3-methoxy-4-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4707108
(1S)-7-chloro-1-(3-methoxy-4-propoxyphenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2015929
2-(5-chloro-2-pyridinyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18819144
7-chloro-1-(4-ethoxy-3-methoxyphenyl)-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4709160

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(6-chloro-1,3-benzothiazol-2-yl)-1-(4-ethoxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1R)-2-(6-chloro-1,3-benzothiazol-2-yl)-1-(4-ethoxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 2031997) is (1R)-2-(6-chloro-1,3-benzothiazol-2-yl)-1-(4-ethoxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1R)-2-(6-chloro-1,3-benzothiazol-2-yl)-1-(4-ethoxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1R)-2-(6-chloro-1,3-benzothiazol-2-yl)-1-(4-ethoxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC.
What is the InChIKey of (1R)-2-(6-chloro-1,3-benzothiazol-2-yl)-1-(4-ethoxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is QOUPOBVEWXFUAW-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H19ClN2O5S/c1-3-34-19-11-8-14(12-20(19)33-2)23-22-24(31)16-6-4-5-7-18(16)35-25(22)26(32)30(23)27-29-17-10-9-15(28)13-21(17)36-27/h4-13,23H,3H2,1-2H3/t23-/m1/s1.
What are the key properties of (1R)-2-(6-chloro-1,3-benzothiazol-2-yl)-1-(4-ethoxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1R)-2-(6-chloro-1,3-benzothiazol-2-yl)-1-(4-ethoxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 518.98 g/mol, XLogP of 6.21, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(6-chloro-1,3-benzothiazol-2-yl)-1-(4-ethoxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 2031997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).