Chemical ID: 6319318

CC1CN(CC(O1)C)C(=O)c2c3c(sc2NC(=O)c4cccc(c4)Cl)CC(CC3)C(C)(C)C
Chemical ID:
6319318
Name [?]:
3-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)carbonyl-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-benzamide
SMILES [?]:
CC1CN(CC(O1)C)C(=O)c2c3c(sc2NC(=O)c4cccc(c4)Cl)CC(CC3)C(C)(C)C
InChi [?]:
InChI=1/C26H33ClN2O3S/c1-15-13-29(14-16(2)32-15)25(31)22-20-10-9-18(26(3,4)5)12-21(20)33-24(22)28-23(30)17-7-6-8-19(27)11-17/h6-8,11,15-16,18H,9-10,12-14H2,1-5H3,(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,8,31,32,33,21,20,22,28,29,24,26,3,5,2,6,19,27,23,12,13,11,17,15,9,30,25,16,4,18,10,7,14/E:(1,2)(3,4,5)(13,14)(15,16)/rA:33cCCCNCCOCCOCCCSCNCOCCCCCCClCCCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s6;s4;d9;s9;s11;d12;s13;d11s14;s15;s16;d17;s17;s19;d20;s21;d22;d19s23;s23;s13;s26;s27;s12s28;s27;s30;s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H33ClN2O3S
All Atoms:33
Heavy Atoms:33
Chiral Atoms:3
ZAP Information [?]
Total:14.1887
Area:722.756
Solvation:-3.88023
Coulombic:-49.1825
Bond Count [?]
All:36
Single:29
Double:7
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:489.071
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:6.02
LogP (Chemaxon):5.81

Name Annotations

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Descriptor Annotations

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