Chemical ID: 3887678

CCOC(=O)C(C)N1c2c(c3c(s2)CCCC3)C(=NCC1=O)c4ccc(cc4)OC
Chemical ID:
3887678
Name [?]:
None
SMILES [?]:
CCOC(=O)C(C)N1c2c(c3c(s2)CCCC3)C(=NCC1=O)c4ccc(cc4)OC
InChi [?]:
InChI=1/C23H26N2O4S/c1-4-29-23(27)14(2)25-19(26)13-24-21(15-9-11-16(28-3)12-10-15)20-17-7-5-6-8-18(17)30-22(20)25/h9-12,14H,4-8,13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,7,30,2,16,15,17,14,24,28,25,27,20,6,23,26,11,12,21,10,18,9,4,19,8,22,5,29,3,13/E:(9,10)(11,12)/rA:30cCCOCOCCNCCCCSCCCCCNCCOCCCCCCOC/rB:s1;s2;s3;d4;s4;s6;s6;s8;d9;s10;d11;s9s12;s12;s14;s15;s11s16;s10;d18;s19;s8s20;d21;s18;s23;d24;s25;d26;d23s27;s26;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H26N2O4S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:10.8068
Area:618.576
Solvation:-4.65759
Coulombic:-49.4409
Bond Count [?]
All:33
Single:25
Double:8
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:426.53
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:2.58
LogP (Chemaxon):3.11

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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