Chemical ID: 4897052

Cc1cc2c(cc1C)oc3c(c2=O)C(N(C3=O)c4nnc(s4)CC(C)C)c5ccc(cc5)C(C)C
Chemical ID:
4897052
Name [?]:
None
SMILES [?]:
Cc1cc2c(cc1C)oc3c(c2=O)C(N(C3=O)c4nnc(s4)CC(C)C)c5ccc(cc5)C(C)C
InChi [?]:
InChI=1/C28H29N3O3S/c1-14(2)11-22-29-30-28(35-22)31-24(19-9-7-18(8-10-19)15(3)4)23-25(32)20-12-16(5)17(6)13-21(20)34-26(23)27(31)33/h7-10,12-15,24H,11H2,1-6H3
InChi Info:
AuxInfo=1/0/N:25,26,34,35,1,8,29,31,28,32,23,3,6,24,33,2,7,30,27,4,5,21,11,14,12,10,16,18,20,19,15,13,17,9,22/E:(1,2)(3,4)(7,8)(9,10)/rA:35cCCCCCCCCOCCCOCNCOCNNCSCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s4s11;d12;s11;s14;s10s15;d16;s15;d18;s19;d20;s18s21;s21;s23;s24;s24;s14;s27;d28;s29;d30;d27s31;s30;s33;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H29N3O3S
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:14.691
Area:721.321
Solvation:-3.34203
Coulombic:-41.0161
Bond Count [?]
All:39
Single:28
Double:11
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:487.614
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:7.1
LogP (Chemaxon):6.03

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Descriptor Annotations

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