Chemical ID: 5849375

CCC(=O)N1c2ccccc2NC3=C(C1c4ccc(cc4Cl)Cl)C(=O)CC(C3)c5ccccc5
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

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Experimental Annotations

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Descriptor Annotations

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