Chemical ID: 4316280

CCC(=O)N1c2ccccc2NC3=C(C1c4c(cccc4Cl)Cl)C(=O)CC(C3)(C)C
Chemical ID:
4316280
Name [?]:
None
SMILES [?]:
CCC(=O)N1c2ccccc2NC3=C(C1c4c(cccc4Cl)Cl)C(=O)CC(C3)(C)C
InChi [?]:
InChI=1/C24H24Cl2N2O2/c1-4-20(30)28-18-11-6-5-10-16(18)27-17-12-24(2,3)13-19(29)22(17)23(28)21-14(25)8-7-9-15(21)26/h5-11,23,27H,4,12-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,29,30,2,9,8,19,18,20,10,7,28,26,17,21,11,13,6,24,3,16,14,15,27,23,22,12,5,25,4/E:(2,3)(8,9)(14,15)(25,26)/rA:30cCCCONCCCCCCNCCCCCCCCCClClCOCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s11;s12;d13;s5s14;s15;s16;d17;s18;d19;d16s20;s21;s17;s14;d24;s24;s26;s13s27;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H24Cl2N2O2
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:11.1341
Area:554.045
Solvation:-2.717
Coulombic:-37.0393
Bond Count [?]
All:33
Single:24
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:443.365
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.33
LogP (Chemaxon):4.89

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Descriptor Annotations

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