Chemical ID: 6030353

CCOC(=O)N1CCN(CC1)C(=O)Cc2csc(n2)NC(=O)CN(C(C)C)C(=O)c3ccc(cc3)F
Chemical ID:
6030353
Name [?]:
ethyl 4-[2-[2-[2-[(4-fluorobenzoyl)-isopropyl-amino]acetyl]aminothiazol-4-yl]acetyl]piperazine-1-carboxylate
SMILES [?]:
CCOC(=O)N1CCN(CC1)C(=O)Cc2csc(n2)NC(=O)CN(C(C)C)C(=O)c3ccc(cc3)F
InChi [?]:
InChI=1/C24H30FN5O5S/c1-4-35-24(34)29-11-9-28(10-12-29)21(32)13-19-15-36-23(26-19)27-20(31)14-30(16(2)3)22(33)17-5-7-18(25)8-6-17/h5-8,15-16H,4,9-14H2,1-3H3,(H,26,27,31)
InChi Info:
AuxInfo=1/1/N:1,26,27,2,31,35,32,34,8,10,7,11,14,23,16,25,30,33,15,21,12,28,18,4,36,19,20,9,6,24,22,13,29,5,3,17/E:(2,3)(5,6)(7,8)(9,10)(11,12)/rA:36nCCOCONCCNCCCOCCCSCNNCOCNCCCCOCCCCCCF/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s9;d12;s12;s14;d15;s16;s17;s15d18;s18;s20;d21;s21;s23;s24;s25;s25;s24;d28;s28;s30;d31;s32;d33;d30s34;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H30FN5O5S
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:11.5768
Area:757.94
Solvation:-7.37172
Coulombic:-88.984
Bond Count [?]
All:38
Single:29
Double:9
Rotors:13
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:519.59
H-Bond Donors:1
H-Bond Acceptors:9
XLogP:1.63
LogP (Chemaxon):2.16

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue