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Chemical ID: 5849375
Chemical ID:
5849375
Name [?]:
None
SMILES [?]:
CCC(=O)N1c2ccccc2NC3=C(C1c4ccc(cc4Cl)Cl)C(=O)CC(C3)c5ccccc5
InChi [?]:
InChI=1/C28H24Cl2N2O2/c1-2-26(34)32-24-11-7-6-10-22(24)31-23-14-18(17-8-4-3-5-9-17)15-25(33)27(23)28(32)20-13-12-19(29)16-21(20)30/h3-13,16,18,28,31H,2,14-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,32,31,33,9,8,30,34,10,7,18,17,28,26,20,29,27,19,16,21,11,13,6,24,3,14,15,23,22,12,5,25,4/E:(4,5)(8,9)/rA:34cCCCONCCCCCCNCCCCCCCCCClClCOCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s11;s12;d13;s5s14;s15;s16;d17;s18;d19;d16s20;s21;s19;s14;d24;s24;s26;s13s27;s27;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H24Cl2N2O2 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 13.2897 |
Area: | 662.838 |
Solvation: | -3.28129 |
Coulombic: | -37.5669 |
Bond Count [?]
All: | 38 |
Single: | 26 |
Double: | 12 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 491.408 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.6 |
LogP (Chemaxon): | 5.67 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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