Chemical ID: 5291801

CCCOc1ccc(cc1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2c5nccs5)Cl
Chemical ID:
5291801
Name [?]:
None
SMILES [?]:
CCCOc1ccc(cc1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2c5nccs5)Cl
InChi [?]:
InChI=1/C23H17ClN2O4S/c1-2-10-29-15-6-3-13(4-7-15)19-18-20(27)16-12-14(24)5-8-17(16)30-21(18)22(28)26(19)23-25-9-11-31-23/h3-9,11-12,19H,2,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,7,9,18,6,10,19,28,3,29,16,8,17,5,15,20,12,11,13,22,23,26,31,27,25,14,24,4,21,30/E:(3,4)(6,7)/rA:31cCCCOCCCCCCCCCOCCCCCCOCCONCNCCSCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;d12s21;s22;d23;s11s23;s25;d26;s27;d28;s26s29;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H17ClN2O4S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:11.4276
Area:650.247
Solvation:-4.8286
Coulombic:-47.5939
Bond Count [?]
All:35
Single:24
Double:11
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:452.911
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.88
LogP (Chemaxon):4.67

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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