Chemical ID: 4894693

CCOc1ccc(cc1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2c5nccs5)C
Chemical ID:
4894693
Name [?]:
None
SMILES [?]:
CCOc1ccc(cc1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2c5nccs5)C
InChi [?]:
InChI=1/C23H18N2O4S/c1-3-28-15-7-5-14(6-8-15)19-18-20(26)16-12-13(2)4-9-17(16)29-21(18)22(27)25(19)23-24-10-11-30-23/h4-12,19H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,30,2,17,6,8,5,9,18,27,28,15,16,7,4,14,19,11,10,12,21,22,25,26,24,13,23,3,20,29/E:(5,6)(7,8)/rA:30cCCOCCCCCCCCCOCCCCCCOCCONCNCCSC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;d11s20;s21;d22;s10s22;s24;d25;s26;d27;s25s28;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H18N2O4S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:10.5057
Area:609.501
Solvation:-4.73183
Coulombic:-47.3863
Bond Count [?]
All:34
Single:23
Double:11
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:418.466
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.33
LogP (Chemaxon):4.15

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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