Chemical ID: 4370927

CC(C)(C)C1CCc2c(sc(c2C(=O)N3CCCC3)NC(=O)c4ccc(cc4)Cl)C1
Chemical ID:
4370927
Name [?]:
4-chloro-N-(3-pyrrolidin-1-ylcarbonyl-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-benzamide
SMILES [?]:
CC(C)(C)C1CCc2c(sc(c2C(=O)N3CCCC3)NC(=O)c4ccc(cc4)Cl)C1
InChi [?]:
InChI=1/C24H29ClN2O2S/c1-24(2,3)16-8-11-18-19(14-16)30-22(20(18)23(29)27-12-4-5-13-27)26-21(28)15-6-9-17(25)10-7-15/h6-7,9-10,16H,4-5,8,11-14H2,1-3H3,(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,3,4,17,18,24,28,6,25,27,7,16,19,30,23,5,26,8,9,12,21,11,13,2,29,20,15,22,14,10/E:(1,2,3)(4,5)(6,7)(9,10)(12,13)/rA:30cCCCCCCCCCSCCCONCCCCNCOCCCCCCClC/rB:s1;s2;s2;s2;s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s13;s15;s16;s17;s15s18;s11;s20;d21;s21;s23;d24;s25;d26;d23s27;s26;s5s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H29ClN2O2S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:13.8958
Area:665.219
Solvation:-2.73469
Coulombic:-40.9111
Bond Count [?]
All:33
Single:26
Double:7
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:445.018
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:6.01
LogP (Chemaxon):5.65

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Descriptor Annotations

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