Chemical ID: 6762753

CCCOc1ccc(cc1)C2c3c(=O)c4cc(c(cc4oc3C(=O)N2c5nccs5)C)C
Chemical ID:
6762753
Name [?]:
None
SMILES [?]:
CCCOc1ccc(cc1)C2c3c(=O)c4cc(c(cc4oc3C(=O)N2c5nccs5)C)C
InChi [?]:
InChI=1/C25H22N2O4S/c1-4-10-30-17-7-5-16(6-8-17)21-20-22(28)18-12-14(2)15(3)13-19(18)31-23(20)24(29)27(21)25-26-9-11-32-25/h5-9,11-13,21H,4,10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,32,31,2,7,9,6,10,28,3,29,16,19,17,18,8,5,15,20,12,11,13,22,23,26,27,25,14,24,4,21,30/E:(5,6)(7,8)/rA:32cCCCOCCCCCCCCCOCCCCCCOCCONCNCCSCC/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;s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H22N2O4S
All Atoms:54
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:11.7463
Area:656.798
Solvation:-4.67362
Coulombic:-47.6699
Bond Count [?]
All:36
Single:25
Double:11
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:446.519
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.13
LogP (Chemaxon):5.09

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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