Chemical ID: 4560180

COC(=O)C1Cc2c3ccccc3[nH]c2C(N1)c4ccc(cc4Cl)Cl
Chemical ID:
4560180
Name [?]:
None
SMILES [?]:
COC(=O)C1Cc2c3ccccc3[nH]c2C(N1)c4ccc(cc4Cl)Cl
InChi [?]:
InChI=1/C19H16Cl2N2O2/c1-25-19(24)16-9-13-11-4-2-3-5-15(11)22-18(13)17(23-16)12-7-6-10(20)8-14(12)21/h2-8,16-17,22-23H,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,10,11,9,12,20,19,22,6,21,8,18,7,23,13,5,16,15,3,25,24,14,17,4,2/rA:25cCOCOCCCCCCCCCNCCNCCCCCCClCl/rB:s1;s2;d3;s3;s5;s6;s7;s8;d9;s10;d11;d8s12;s13;d7s14;s15;s5s16;s16;s18;d19;s20;d21;d18s22;s23;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16Cl2N2O2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:2
ZAP Information [?]
Total:11.1005
Area:559.046
Solvation:-2.87567
Coulombic:-41.1699
Bond Count [?]
All:28
Single:20
Double:8
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:375.248
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.09
LogP (Chemaxon):4.37

Name Annotations

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Descriptor Annotations

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