Chemical ID: 3887679

CCOC(=O)C(C)N1c2c(c3c(s2)CCCC3)C(=NCC1=O)c4ccc(cc4)C(C)(C)C
Chemical ID:
3887679
Name [?]:
None
SMILES [?]:
CCOC(=O)C(C)N1c2c(c3c(s2)CCCC3)C(=NCC1=O)c4ccc(cc4)C(C)(C)C
InChi [?]:
InChI=1/C26H32N2O3S/c1-6-31-25(30)16(2)28-21(29)15-27-23(17-11-13-18(14-12-17)26(3,4)5)22-19-9-7-8-10-20(19)32-24(22)28/h11-14,16H,6-10,15H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,7,30,31,32,2,16,15,17,14,24,28,25,27,20,6,23,26,11,12,21,10,18,9,4,29,19,8,22,5,3,13/E:(3,4,5)(11,12)(13,14)/rA:32cCCOCOCCNCCCCSCCCCCNCCOCCCCCCCCCC/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;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H32N2O3S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:13.2958
Area:661.899
Solvation:-3.25164
Coulombic:-44.0052
Bond Count [?]
All:35
Single:27
Double:8
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:452.61
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.48
LogP (Chemaxon):4.99

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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